6-amino-5-[2-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione

C19H24F2N4O3 — CID 95042652

IUPAC6-amino-5-[2-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CN(C)[C@@H](C)c2cc(F)ccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C19H24F2N4O3/c1-10(2)8-25-17(22)16(18(27)23-19(25)28)15(26)9-24(4)11(3)13-7-12(20)5-6-14(13)21/h5-7,10-11H,8-9,22H2,1-4H3,(H,23,27,28)/t11-/m0/s1
InChIKeyUMJAEMFAJXWKRA-NSHDSACASA-N
MW394.42 g/mol
LogP1.93
Rot. Bonds7

About 6-amino-5-[2-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[2-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 95042652) has the molecular formula C19H24F2N4O3 and a molecular weight of 394.42 g/mol. Its IUPAC name is 6-amino-5-[2-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID95042652
Molecular FormulaC19H24F2N4O3
Molecular Weight394.42 g/mol
Exact Mass394.18
IUPAC Name6-amino-5-[2-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CN(C)[C@@H](C)c2cc(F)ccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C19H24F2N4O3/c1-10(2)8-25-17(22)16(18(27)23-19(25)28)15(26)9-24(4)11(3)13-7-12(20)5-6-14(13)21/h5-7,10-11H,8-9,22H2,1-4H3,(H,23,27,28)/t11-/m0/s1
InChIKeyUMJAEMFAJXWKRA-NSHDSACASA-N
XLogP1.93
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-5-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 78833901
6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]acetyl]pyrimidine-2,4-dione
CID 94458615
1-[2-[1-(2,5-difluorophenyl)ethyl-methylamino]acetyl]imidazolidin-2-one
CID 56815809
ethyl 2-[[(1R)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetate
CID 94417360
6-amino-5-[2-(2,4-dimethylphenyl)sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 42150829
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 46582615
6-amino-5-[2-(3,3-dimethylpyrrolidin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 86778046
6-amino-5-[(3-fluorophenyl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 55591309
N-[4-[2-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]sulfanylphenyl]acetamide
CID 42154347
6-amino-5-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione
CID 4847990
2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide
CID 60503075
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,4-difluorophenoxy)acetamide
CID 30853202

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 95042652) is 6-amino-5-[2-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(C(=O)CN(C)[C@@H](C)c2cc(F)ccc2F)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is UMJAEMFAJXWKRA-NSHDSACASA-N. The full InChI is InChI=1S/C19H24F2N4O3/c1-10(2)8-25-17(22)16(18(27)23-19(25)28)15(26)9-24(4)11(3)13-7-12(20)5-6-14(13)21/h5-7,10-11H,8-9,22H2,1-4H3,(H,23,27,28)/t11-/m0/s1.
What are the key properties of 6-amino-5-[2-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[2-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 394.42 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 95042652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).