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

C15H25N5O2 — CID 136916528

IUPAC(3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N1CCC[C@H](C(=O)NCCc2nc(N)cc(=O)[nH]2)C1
InChIInChI=1S/C15H25N5O2/c1-10(2)20-7-3-4-11(9-20)15(22)17-6-5-13-18-12(16)8-14(21)19-13/h8,10-11H,3-7,9H2,1-2H3,(H,17,22)(H3,16,18,19,21)/t11-/m0/s1
InChIKeyULXBMDWUTPRFJN-NSHDSACASA-N
MW307.40 g/mol
LogP0.13
Rot. Bonds5

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

(3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide (PubChem CID 136916528) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide
PubChem CID136916528
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name(3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N1CCC[C@H](C(=O)NCCc2nc(N)cc(=O)[nH]2)C1
InChIInChI=1S/C15H25N5O2/c1-10(2)20-7-3-4-11(9-20)15(22)17-6-5-13-18-12(16)8-14(21)19-13/h8,10-11H,3-7,9H2,1-2H3,(H,17,22)(H3,16,18,19,21)/t11-/m0/s1
InChIKeyULXBMDWUTPRFJN-NSHDSACASA-N
XLogP0.13
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide (CID 136916528) is (3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide is CC(C)N1CCC[C@H](C(=O)NCCc2nc(N)cc(=O)[nH]2)C1.
What is the InChIKey of (3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is ULXBMDWUTPRFJN-NSHDSACASA-N. The full InChI is InChI=1S/C15H25N5O2/c1-10(2)20-7-3-4-11(9-20)15(22)17-6-5-13-18-12(16)8-14(21)19-13/h8,10-11H,3-7,9H2,1-2H3,(H,17,22)(H3,16,18,19,21)/t11-/m0/s1.
What are the key properties of (3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide?
(3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 136916528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).