6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione;(1S)-1-(2,6-difluorophenyl)ethanamine;6-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione;chloride

C30H35Cl2F4N6O4- — CID 163920184

IUPAC6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione;(1S)-1-(2,6-difluorophenyl)ethanamine;6-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione;chloride
SMILESCC(C)n1c(=O)cc(Cl)[nH]c1=O.CC(C)n1c(=O)cc(N[C@@H](C)c2c(F)cccc2F)[nH]c1=O.C[C@H](N)c1c(F)cccc1F.[Cl-]
InChIInChI=1S/C15H17F2N3O2.C8H9F2N.C7H9ClN2O2.ClH/c1-8(2)20-13(21)7-12(19-15(20)22)18-9(3)14-10(16)5-4-6-11(14)17;1-5(11)8-6(9)3-2-4-7(8)10;1-4(2)10-6(11)3-5(8)9-7(10)12;/h4-9,18H,1-3H3,(H,19,22);2-5H,11H2,1H3;3-4H,1-2H3,(H,9,12);1H/p-1/t9-;5-;;/m00../s1
InChIKeyMYCVRLWMRIJLQK-PUSGUPHSSA-M
MW690.55 g/mol
LogP2.33
Rot. Bonds6

About 6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione;(1S)-1-(2,6-difluorophenyl)ethanamine;6-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione;chloride

6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione;(1S)-1-(2,6-difluorophenyl)ethanamine;6-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione;chloride (PubChem CID 163920184) has the molecular formula C30H35Cl2F4N6O4- and a molecular weight of 690.55 g/mol. Its IUPAC name is 6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione;(1S)-1-(2,6-difluorophenyl)ethanamine;6-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione;chloride.

Molecular Properties

Compound Name6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione;(1S)-1-(2,6-difluorophenyl)ethanamine;6-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione;chloride
PubChem CID163920184
Molecular FormulaC30H35Cl2F4N6O4-
Molecular Weight690.55 g/mol
Exact Mass689.20
IUPAC Name6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione;(1S)-1-(2,6-difluorophenyl)ethanamine;6-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione;chloride
SMILESCC(C)n1c(=O)cc(Cl)[nH]c1=O.CC(C)n1c(=O)cc(N[C@@H](C)c2c(F)cccc2F)[nH]c1=O.C[C@H](N)c1c(F)cccc1F.[Cl-]
InChIInChI=1S/C15H17F2N3O2.C8H9F2N.C7H9ClN2O2.ClH/c1-8(2)20-13(21)7-12(19-15(20)22)18-9(3)14-10(16)5-4-6-11(14)17;1-5(11)8-6(9)3-2-4-7(8)10;1-4(2)10-6(11)3-5(8)9-7(10)12;/h4-9,18H,1-3H3,(H,19,22);2-5H,11H2,1H3;3-4H,1-2H3,(H,9,12);1H/p-1/t9-;5-;;/m00../s1
InChIKeyMYCVRLWMRIJLQK-PUSGUPHSSA-M
XLogP2.33
TPSA147.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500690.55
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione;(1S)-1-(2,6-difluorophenyl)ethanamine;6-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione;chloride with MolForge

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Related Compounds

6-hydrazinyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 102537359
6-chloro-3-(2,2-difluoroethyl)-1H-pyrimidine-2,4-dione;3-(2,2-difluoroethyl)-6-[[(1S)-1-phenylethyl]amino]-1H-pyrimidine-2,4-dione;methane;(1S)-1-phenylethanamine
CID 159117976
3-propan-2-yl-6-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]-1H-pyrimidine-2,4-dione
CID 163377856
6-chloro-3-(1-methylcyclopropyl)-1H-pyrimidine-2,4-dione;3-(1-methylcyclopropyl)-6-[[(1S)-1-phenylethyl]amino]-1H-pyrimidine-2,4-dione;(1S)-1-phenylethanamine
CID 159016681
6-[(3-chlorophenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 146334434
6-chloro-3-(3,3-dimethylbutan-2-yl)-1H-pyrimidine-2,4-dione
CID 104830824
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
3,5-dichloro-N-[1-(2,6-difluorophenyl)ethyl]-4-fluoroaniline
CID 107572509
6-[(3-hydroxyphenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 146334475
2,6-difluorobenzaldehyde;(1S)-1-(2,6-difluorophenyl)ethanamine;methane;chloride
CID 159985297
2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline
CID 43111468
6-phenyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 67265851

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione;(1S)-1-(2,6-difluorophenyl)ethanamine;6-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione;chloride?
The IUPAC name of 6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione;(1S)-1-(2,6-difluorophenyl)ethanamine;6-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione;chloride (CID 163920184) is 6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione;(1S)-1-(2,6-difluorophenyl)ethanamine;6-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione;chloride.
What is the SMILES notation for 6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione;(1S)-1-(2,6-difluorophenyl)ethanamine;6-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione;chloride?
The canonical SMILES for 6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione;(1S)-1-(2,6-difluorophenyl)ethanamine;6-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione;chloride is CC(C)n1c(=O)cc(Cl)[nH]c1=O.CC(C)n1c(=O)cc(N[C@@H](C)c2c(F)cccc2F)[nH]c1=O.C[C@H](N)c1c(F)cccc1F.[Cl-].
What is the InChIKey of 6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione;(1S)-1-(2,6-difluorophenyl)ethanamine;6-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione;chloride?
The InChIKey is MYCVRLWMRIJLQK-PUSGUPHSSA-M. The full InChI is InChI=1S/C15H17F2N3O2.C8H9F2N.C7H9ClN2O2.ClH/c1-8(2)20-13(21)7-12(19-15(20)22)18-9(3)14-10(16)5-4-6-11(14)17;1-5(11)8-6(9)3-2-4-7(8)10;1-4(2)10-6(11)3-5(8)9-7(10)12;/h4-9,18H,1-3H3,(H,19,22);2-5H,11H2,1H3;3-4H,1-2H3,(H,9,12);1H/p-1/t9-;5-;;/m00../s1.
What are the key properties of 6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione;(1S)-1-(2,6-difluorophenyl)ethanamine;6-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione;chloride?
6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione;(1S)-1-(2,6-difluorophenyl)ethanamine;6-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione;chloride has a molecular weight of 690.55 g/mol, XLogP of 2.33, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione;(1S)-1-(2,6-difluorophenyl)ethanamine;6-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione;chloride is sourced from PubChem (CID 163920184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).