4-amino-N-[6-[(1R)-1-aminoethyl]pyrazin-2-yl]-1-(2,6-dichloro-4-ethoxyphenyl)-6-oxopyrimidine-5-carboxamide

C19H19Cl2N7O3 — CID 172594145

IUPAC4-amino-N-[6-[(1R)-1-aminoethyl]pyrazin-2-yl]-1-(2,6-dichloro-4-ethoxyphenyl)-6-oxopyrimidine-5-carboxamide
SMILESCCOc1cc(Cl)c(-n2cnc(N)c(C(=O)Nc3cncc([C@@H](C)N)n3)c2=O)c(Cl)c1
InChIInChI=1S/C19H19Cl2N7O3/c1-3-31-10-4-11(20)16(12(21)5-10)28-8-25-17(23)15(19(28)30)18(29)27-14-7-24-6-13(26-14)9(2)22/h4-9H,3,22-23H2,1-2H3,(H,26,27,29)/t9-/m1/s1
InChIKeyNVDIGFIJKJKKKF-SECBINFHSA-N
MW464.31 g/mol
LogP2.58
Rot. Bonds6

About 4-amino-N-[6-[(1R)-1-aminoethyl]pyrazin-2-yl]-1-(2,6-dichloro-4-ethoxyphenyl)-6-oxopyrimidine-5-carboxamide

4-amino-N-[6-[(1R)-1-aminoethyl]pyrazin-2-yl]-1-(2,6-dichloro-4-ethoxyphenyl)-6-oxopyrimidine-5-carboxamide (PubChem CID 172594145) has the molecular formula C19H19Cl2N7O3 and a molecular weight of 464.31 g/mol. Its IUPAC name is 4-amino-N-[6-[(1R)-1-aminoethyl]pyrazin-2-yl]-1-(2,6-dichloro-4-ethoxyphenyl)-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[6-[(1R)-1-aminoethyl]pyrazin-2-yl]-1-(2,6-dichloro-4-ethoxyphenyl)-6-oxopyrimidine-5-carboxamide
PubChem CID172594145
Molecular FormulaC19H19Cl2N7O3
Molecular Weight464.31 g/mol
Exact Mass463.09
IUPAC Name4-amino-N-[6-[(1R)-1-aminoethyl]pyrazin-2-yl]-1-(2,6-dichloro-4-ethoxyphenyl)-6-oxopyrimidine-5-carboxamide
SMILESCCOc1cc(Cl)c(-n2cnc(N)c(C(=O)Nc3cncc([C@@H](C)N)n3)c2=O)c(Cl)c1
InChIInChI=1S/C19H19Cl2N7O3/c1-3-31-10-4-11(20)16(12(21)5-10)28-8-25-17(23)15(19(28)30)18(29)27-14-7-24-6-13(26-14)9(2)22/h4-9H,3,22-23H2,1-2H3,(H,26,27,29)/t9-/m1/s1
InChIKeyNVDIGFIJKJKKKF-SECBINFHSA-N
XLogP2.58
TPSA151.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.31
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

4-amino-1-(2,6-dichloro-4-ethoxyphenyl)-N-[5-(3,3-difluoropropyl)-3-pyridinyl]-6-oxopyrimidine-5-carboxamide
CID 172593773
4-amino-N-[5-[(1S)-1-aminoethyl]-3-pyridinyl]-1-(2,6-dichloro-4-methoxyphenyl)-6-oxopyrimidine-5-carboxamide
CID 172593584
4-amino-1-(2,6-dichloro-4-methoxyphenyl)-N-[5-[(1R)-1-(methylamino)ethyl]-3-pyridinyl]-6-oxopyrimidine-5-carboxamide
CID 172593944
4-amino-1-(2-chloro-4-methoxy-6-methylphenyl)-6-oxo-N-(5-propan-2-yl-3-pyridinyl)pyrimidine-5-carboxamide
CID 172593761
4-amino-1-(2,6-dichloro-4-cyclopropyloxyphenyl)-N-[5-(2-methoxyethyl)-3-pyridinyl]-6-oxopyrimidine-5-carboxamide
CID 172594188
4-amino-N-[5-[(1S)-1-aminoethyl]-3-pyridinyl]-1-[4-[(1R)-1,2-difluoroethyl]-2,6-dimethylphenyl]-6-oxopyrimidine-5-carboxamide
CID 172593772
4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-phenylpyrimidine-5-carboxamide
CID 172593964
4-amino-N-[5-[(1S)-1-aminopropyl]-3-pyridinyl]-1-[4-(difluoromethyl)-2,6-dimethylphenyl]-6-oxopyrimidine-5-carboxamide
CID 172593596
4-amino-1-(4-methoxy-2,6-dimethylphenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide
CID 172593638
tert-butyl N-[(1R)-1-[5-[[4-amino-1-[4-(methoxymethyl)-2,6-dimethylphenyl]-6-oxopyrimidine-5-carbonyl]amino]-3-pyridinyl]propyl]carbamate
CID 172594050
3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one
CID 116612385
1-(3-chlorophenyl)-N-(6-ethoxypyrazin-2-yl)-5-methylpyrazole-3-carboxamide
CID 166318993

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[6-[(1R)-1-aminoethyl]pyrazin-2-yl]-1-(2,6-dichloro-4-ethoxyphenyl)-6-oxopyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-[6-[(1R)-1-aminoethyl]pyrazin-2-yl]-1-(2,6-dichloro-4-ethoxyphenyl)-6-oxopyrimidine-5-carboxamide (CID 172594145) is 4-amino-N-[6-[(1R)-1-aminoethyl]pyrazin-2-yl]-1-(2,6-dichloro-4-ethoxyphenyl)-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-[6-[(1R)-1-aminoethyl]pyrazin-2-yl]-1-(2,6-dichloro-4-ethoxyphenyl)-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-[6-[(1R)-1-aminoethyl]pyrazin-2-yl]-1-(2,6-dichloro-4-ethoxyphenyl)-6-oxopyrimidine-5-carboxamide is CCOc1cc(Cl)c(-n2cnc(N)c(C(=O)Nc3cncc([C@@H](C)N)n3)c2=O)c(Cl)c1.
What is the InChIKey of 4-amino-N-[6-[(1R)-1-aminoethyl]pyrazin-2-yl]-1-(2,6-dichloro-4-ethoxyphenyl)-6-oxopyrimidine-5-carboxamide?
The InChIKey is NVDIGFIJKJKKKF-SECBINFHSA-N. The full InChI is InChI=1S/C19H19Cl2N7O3/c1-3-31-10-4-11(20)16(12(21)5-10)28-8-25-17(23)15(19(28)30)18(29)27-14-7-24-6-13(26-14)9(2)22/h4-9H,3,22-23H2,1-2H3,(H,26,27,29)/t9-/m1/s1.
What are the key properties of 4-amino-N-[6-[(1R)-1-aminoethyl]pyrazin-2-yl]-1-(2,6-dichloro-4-ethoxyphenyl)-6-oxopyrimidine-5-carboxamide?
4-amino-N-[6-[(1R)-1-aminoethyl]pyrazin-2-yl]-1-(2,6-dichloro-4-ethoxyphenyl)-6-oxopyrimidine-5-carboxamide has a molecular weight of 464.31 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[6-[(1R)-1-aminoethyl]pyrazin-2-yl]-1-(2,6-dichloro-4-ethoxyphenyl)-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 172594145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).