3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-propan-2-ylpiperidine-1-carboxamide

C15H27N5O2 — CID 59387592

IUPAC3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC([C@]2(C)CC(=O)N(C)C(N)=N2)C1
InChIInChI=1S/C15H27N5O2/c1-10(2)17-14(22)20-7-5-6-11(9-20)15(3)8-12(21)19(4)13(16)18-15/h10-11H,5-9H2,1-4H3,(H2,16,18)(H,17,22)/t11?,15-/m0/s1
InChIKeyKBZXQBFSQWLPNJ-MHTVFEQDSA-N
MW309.41 g/mol
LogP0.75
Rot. Bonds2

About 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-propan-2-ylpiperidine-1-carboxamide

3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 59387592) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID59387592
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC([C@]2(C)CC(=O)N(C)C(N)=N2)C1
InChIInChI=1S/C15H27N5O2/c1-10(2)17-14(22)20-7-5-6-11(9-20)15(3)8-12(21)19(4)13(16)18-15/h10-11H,5-9H2,1-4H3,(H2,16,18)(H,17,22)/t11?,15-/m0/s1
InChIKeyKBZXQBFSQWLPNJ-MHTVFEQDSA-N
XLogP0.75
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-propan-2-ylpiperidine-1-carboxamide (CID 59387592) is 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCCC([C@]2(C)CC(=O)N(C)C(N)=N2)C1.
What is the InChIKey of 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is KBZXQBFSQWLPNJ-MHTVFEQDSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-10(2)17-14(22)20-7-5-6-11(9-20)15(3)8-12(21)19(4)13(16)18-15/h10-11H,5-9H2,1-4H3,(H2,16,18)(H,17,22)/t11?,15-/m0/s1.
What are the key properties of 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-propan-2-ylpiperidine-1-carboxamide?
3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 59387592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).