4-[(5S)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-1,2-dihydropyridine-3-carboxamide

C12H17N5O2 — CID 173108469

IUPAC4-[(5S)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-1,2-dihydropyridine-3-carboxamide
SMILESC[C@@H]1C(=O)N(C)C(N)=NC1C1=C(C(N)=O)CNC=C1
InChIInChI=1S/C12H17N5O2/c1-6-9(16-12(14)17(2)11(6)19)7-3-4-15-5-8(7)10(13)18/h3-4,6,9,15H,5H2,1-2H3,(H2,13,18)(H2,14,16)/t6-,9?/m0/s1
InChIKeySFTFUSNHGZSWDH-AADKRJSRSA-N
MW263.30 g/mol
LogP-1.32
Rot. Bonds2

About 4-[(5S)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-1,2-dihydropyridine-3-carboxamide

4-[(5S)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-1,2-dihydropyridine-3-carboxamide (PubChem CID 173108469) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[(5S)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-1,2-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(5S)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-1,2-dihydropyridine-3-carboxamide
PubChem CID173108469
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name4-[(5S)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-1,2-dihydropyridine-3-carboxamide
SMILESC[C@@H]1C(=O)N(C)C(N)=NC1C1=C(C(N)=O)CNC=C1
InChIInChI=1S/C12H17N5O2/c1-6-9(16-12(14)17(2)11(6)19)7-3-4-15-5-8(7)10(13)18/h3-4,6,9,15H,5H2,1-2H3,(H2,13,18)(H2,14,16)/t6-,9?/m0/s1
InChIKeySFTFUSNHGZSWDH-AADKRJSRSA-N
XLogP-1.32
TPSA113.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-1,2-dihydropyridine-3-carboxamide?
The IUPAC name of 4-[(5S)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-1,2-dihydropyridine-3-carboxamide (CID 173108469) is 4-[(5S)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-1,2-dihydropyridine-3-carboxamide.
What is the SMILES notation for 4-[(5S)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-1,2-dihydropyridine-3-carboxamide?
The canonical SMILES for 4-[(5S)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-1,2-dihydropyridine-3-carboxamide is C[C@@H]1C(=O)N(C)C(N)=NC1C1=C(C(N)=O)CNC=C1.
What is the InChIKey of 4-[(5S)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-1,2-dihydropyridine-3-carboxamide?
The InChIKey is SFTFUSNHGZSWDH-AADKRJSRSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-6-9(16-12(14)17(2)11(6)19)7-3-4-15-5-8(7)10(13)18/h3-4,6,9,15H,5H2,1-2H3,(H2,13,18)(H2,14,16)/t6-,9?/m0/s1.
What are the key properties of 4-[(5S)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-1,2-dihydropyridine-3-carboxamide?
4-[(5S)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-1,2-dihydropyridine-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-1,2-dihydropyridine-3-carboxamide is sourced from PubChem (CID 173108469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).