(3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide

C15H25N5O2 — CID 136861426

IUPAC(3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide
SMILESCCN1CCC[C@@](C)(C(=O)NCCc2nc(N)cc(=O)[nH]2)C1
InChIInChI=1S/C15H25N5O2/c1-3-20-8-4-6-15(2,10-20)14(22)17-7-5-12-18-11(16)9-13(21)19-12/h9H,3-8,10H2,1-2H3,(H,17,22)(H3,16,18,19,21)/t15-/m1/s1
InChIKeyAWFYXJZYODGEDU-OAHLLOKOSA-N
MW307.40 g/mol
LogP0.13
Rot. Bonds5

About (3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide

(3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide (PubChem CID 136861426) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide
PubChem CID136861426
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name(3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide
SMILESCCN1CCC[C@@](C)(C(=O)NCCc2nc(N)cc(=O)[nH]2)C1
InChIInChI=1S/C15H25N5O2/c1-3-20-8-4-6-15(2,10-20)14(22)17-7-5-12-18-11(16)9-13(21)19-12/h9H,3-8,10H2,1-2H3,(H,17,22)(H3,16,18,19,21)/t15-/m1/s1
InChIKeyAWFYXJZYODGEDU-OAHLLOKOSA-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

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide (CID 136861426) is (3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide is CCN1CCC[C@@](C)(C(=O)NCCc2nc(N)cc(=O)[nH]2)C1.
What is the InChIKey of (3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide?
The InChIKey is AWFYXJZYODGEDU-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-3-20-8-4-6-15(2,10-20)14(22)17-7-5-12-18-11(16)9-13(21)19-12/h9H,3-8,10H2,1-2H3,(H,17,22)(H3,16,18,19,21)/t15-/m1/s1.
What are the key properties of (3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide?
(3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-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 (3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 136861426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).