(2R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(azepan-1-yl)propanamide

C15H25N5O2 — CID 137108587

IUPAC(2R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(azepan-1-yl)propanamide
SMILESC[C@H](C(=O)NCCc1nc(N)cc(=O)[nH]1)N1CCCCCC1
InChIInChI=1S/C15H25N5O2/c1-11(20-8-4-2-3-5-9-20)15(22)17-7-6-13-18-12(16)10-14(21)19-13/h10-11H,2-9H2,1H3,(H,17,22)(H3,16,18,19,21)/t11-/m1/s1
InChIKeyZIPZFWSYKCMBOH-LLVKDONJSA-N
MW307.40 g/mol
LogP0.28
Rot. Bonds5

About (2R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(azepan-1-yl)propanamide

(2R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(azepan-1-yl)propanamide (PubChem CID 137108587) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (2R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(azepan-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(azepan-1-yl)propanamide
PubChem CID137108587
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name(2R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(azepan-1-yl)propanamide
SMILESC[C@H](C(=O)NCCc1nc(N)cc(=O)[nH]1)N1CCCCCC1
InChIInChI=1S/C15H25N5O2/c1-11(20-8-4-2-3-5-9-20)15(22)17-7-6-13-18-12(16)10-14(21)19-13/h10-11H,2-9H2,1H3,(H,17,22)(H3,16,18,19,21)/t11-/m1/s1
InChIKeyZIPZFWSYKCMBOH-LLVKDONJSA-N
XLogP0.28
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 ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(azepan-1-yl)propanamide with MolForge

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Related Compounds

2-azepan-1-yl-N-[2-(6-hydroxy-2-methylpyrimidin-4-yl)ethyl]acetamide
CID 136145919
(3S)-3-ethyl-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1,4-diazepan-2-one
CID 136585933
N~1~-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-L-norvalinamide
CID 136664961
3-(methylamino)-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide;hydrochloride
CID 68640946
2-(5-aminoazepan-2-yl)-1H-pyrimidin-6-one
CID 70489863
3-[2-(1,4-Diazepan-1-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
CID 63769196
3-(methylamino)-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide
CID 68640947
3-(Azepan-4-ylamino)-1-ethylpyrazin-2-one
CID 107173740
3-[Azepan-4-yl(methyl)amino]-1-ethylpyrazin-2-one
CID 107174149
3-[Azepan-4-yl(methyl)amino]-1-propan-2-ylpyrazin-2-one
CID 107174189
3-[Azepan-4-yl(methyl)amino]-1-propylpyrazin-2-one
CID 107174297
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 113604534

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(azepan-1-yl)propanamide?
The IUPAC name of (2R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(azepan-1-yl)propanamide (CID 137108587) is (2R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(azepan-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(azepan-1-yl)propanamide?
The canonical SMILES for (2R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(azepan-1-yl)propanamide is C[C@H](C(=O)NCCc1nc(N)cc(=O)[nH]1)N1CCCCCC1.
What is the InChIKey of (2R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(azepan-1-yl)propanamide?
The InChIKey is ZIPZFWSYKCMBOH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11(20-8-4-2-3-5-9-20)15(22)17-7-6-13-18-12(16)10-14(21)19-13/h10-11H,2-9H2,1H3,(H,17,22)(H3,16,18,19,21)/t11-/m1/s1.
What are the key properties of (2R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(azepan-1-yl)propanamide?
(2R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(azepan-1-yl)propanamide has a molecular weight of 307.40 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(azepan-1-yl)propanamide is sourced from PubChem (CID 137108587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).