6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine

C15H16ClF2N3 — CID 80979456

IUPAC6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C15H16ClF2N3/c1-3-4-13-20-14(16)9(2)15(21-13)19-8-10-5-6-11(17)12(18)7-10/h5-7H,3-4,8H2,1-2H3,(H,19,20,21)
InChIKeyIKKBPYCZGIXCRG-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.28
Rot. Bonds5

About 6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine

6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80979456) has the molecular formula C15H16ClF2N3 and a molecular weight of 311.76 g/mol. Its IUPAC name is 6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80979456
Molecular FormulaC15H16ClF2N3
Molecular Weight311.76 g/mol
Exact Mass311.10
IUPAC Name6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C15H16ClF2N3/c1-3-4-13-20-14(16)9(2)15(21-13)19-8-10-5-6-11(17)12(18)7-10/h5-7H,3-4,8H2,1-2H3,(H,19,20,21)
InChIKeyIKKBPYCZGIXCRG-UHFFFAOYSA-N
XLogP4.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80971470
6-chloro-2-ethyl-N-[(4-ethylphenyl)methyl]-5-methylpyrimidin-4-amine
CID 106900577
6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
CID 106194545
4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80954744
6-chloro-5-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-propylpyrimidin-4-amine
CID 114126490
6-chloro-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-propylpyrimidin-4-amine
CID 114701542
6-chloro-5-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-propylpyrimidin-4-amine
CID 114957215
3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 102750719
6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80970481
N-[(3-bromothiophen-2-yl)methyl]-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 80978253
3,6-dichloro-N-[(3,4-difluorophenyl)methyl]-1,2,4-triazin-5-amine
CID 81036342
6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80804455

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine (CID 80979456) is 6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NCc2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is IKKBPYCZGIXCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3/c1-3-4-13-20-14(16)9(2)15(21-13)19-8-10-5-6-11(17)12(18)7-10/h5-7H,3-4,8H2,1-2H3,(H,19,20,21).
What are the key properties of 6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine?
6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 311.76 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80979456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).