4-amino-1-(4-ethyl-2,6-dimethylphenyl)-N-(5-ethyl-3-pyridinyl)-6-oxopyrimidine-5-carboxamide

C22H25N5O2 — CID 172594225

IUPAC4-amino-1-(4-ethyl-2,6-dimethylphenyl)-N-(5-ethyl-3-pyridinyl)-6-oxopyrimidine-5-carboxamide
SMILESCCc1cncc(NC(=O)c2c(N)ncn(-c3c(C)cc(CC)cc3C)c2=O)c1
InChIInChI=1S/C22H25N5O2/c1-5-15-7-13(3)19(14(4)8-15)27-12-25-20(23)18(22(27)29)21(28)26-17-9-16(6-2)10-24-11-17/h7-12H,5-6,23H2,1-4H3,(H,26,28)
InChIKeyLIJFZQBRGRYNLU-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.20
Rot. Bonds5

About 4-amino-1-(4-ethyl-2,6-dimethylphenyl)-N-(5-ethyl-3-pyridinyl)-6-oxopyrimidine-5-carboxamide

4-amino-1-(4-ethyl-2,6-dimethylphenyl)-N-(5-ethyl-3-pyridinyl)-6-oxopyrimidine-5-carboxamide (PubChem CID 172594225) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-amino-1-(4-ethyl-2,6-dimethylphenyl)-N-(5-ethyl-3-pyridinyl)-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-(4-ethyl-2,6-dimethylphenyl)-N-(5-ethyl-3-pyridinyl)-6-oxopyrimidine-5-carboxamide
PubChem CID172594225
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-amino-1-(4-ethyl-2,6-dimethylphenyl)-N-(5-ethyl-3-pyridinyl)-6-oxopyrimidine-5-carboxamide
SMILESCCc1cncc(NC(=O)c2c(N)ncn(-c3c(C)cc(CC)cc3C)c2=O)c1
InChIInChI=1S/C22H25N5O2/c1-5-15-7-13(3)19(14(4)8-15)27-12-25-20(23)18(22(27)29)21(28)26-17-9-16(6-2)10-24-11-17/h7-12H,5-6,23H2,1-4H3,(H,26,28)
InChIKeyLIJFZQBRGRYNLU-UHFFFAOYSA-N
XLogP3.20
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[5-[(1S)-1-aminopropyl]-3-pyridinyl]-1-[4-(difluoromethyl)-2,6-dimethylphenyl]-6-oxopyrimidine-5-carboxamide
CID 172593596
4-amino-N-[5-[(1S)-1-aminoethyl]-3-pyridinyl]-1-[4-[(1R)-1,2-difluoroethyl]-2,6-dimethylphenyl]-6-oxopyrimidine-5-carboxamide
CID 172593772
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
4-amino-1-(4-methoxy-2,6-dimethylphenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide
CID 172593638
4-amino-1-(2,6-dichloro-4-ethoxyphenyl)-N-[5-(3,3-difluoropropyl)-3-pyridinyl]-6-oxopyrimidine-5-carboxamide
CID 172593773
4-amino-1-[2,6-dichloro-4-(methoxymethyl)phenyl]-6-oxo-N-[5-[(propan-2-ylamino)methyl]-3-pyridinyl]pyrimidine-5-carboxamide
CID 172594165
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-[4-(difluoromethyl)-2,6-dimethylphenyl]-N-[5-[(2R,6R)-6-methylpiperidin-2-yl]-3-pyridinyl]-6-oxopyrimidine-5-carboxamide
CID 172593669
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-(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-(2,6-dichloro-4-methoxyphenyl)-N-[5-(4-methylazetidin-2-yl)-3-pyridinyl]-6-oxopyrimidine-5-carboxamide
CID 172593551

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-ethyl-2,6-dimethylphenyl)-N-(5-ethyl-3-pyridinyl)-6-oxopyrimidine-5-carboxamide?
The IUPAC name of 4-amino-1-(4-ethyl-2,6-dimethylphenyl)-N-(5-ethyl-3-pyridinyl)-6-oxopyrimidine-5-carboxamide (CID 172594225) is 4-amino-1-(4-ethyl-2,6-dimethylphenyl)-N-(5-ethyl-3-pyridinyl)-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-1-(4-ethyl-2,6-dimethylphenyl)-N-(5-ethyl-3-pyridinyl)-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-1-(4-ethyl-2,6-dimethylphenyl)-N-(5-ethyl-3-pyridinyl)-6-oxopyrimidine-5-carboxamide is CCc1cncc(NC(=O)c2c(N)ncn(-c3c(C)cc(CC)cc3C)c2=O)c1.
What is the InChIKey of 4-amino-1-(4-ethyl-2,6-dimethylphenyl)-N-(5-ethyl-3-pyridinyl)-6-oxopyrimidine-5-carboxamide?
The InChIKey is LIJFZQBRGRYNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-5-15-7-13(3)19(14(4)8-15)27-12-25-20(23)18(22(27)29)21(28)26-17-9-16(6-2)10-24-11-17/h7-12H,5-6,23H2,1-4H3,(H,26,28).
What are the key properties of 4-amino-1-(4-ethyl-2,6-dimethylphenyl)-N-(5-ethyl-3-pyridinyl)-6-oxopyrimidine-5-carboxamide?
4-amino-1-(4-ethyl-2,6-dimethylphenyl)-N-(5-ethyl-3-pyridinyl)-6-oxopyrimidine-5-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-ethyl-2,6-dimethylphenyl)-N-(5-ethyl-3-pyridinyl)-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 172594225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).