2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide

C12H19ClN4O2 — CID 114582801

IUPAC2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C12H19ClN4O2/c1-4-5-7(2)16-11(18)8(3)17-6-15-10(13)9(14)12(17)19/h6-8H,4-5,14H2,1-3H3,(H,16,18)
InChIKeyBGCQYDYVSKJKDM-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.34
Rot. Bonds5

About 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide (PubChem CID 114582801) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide
PubChem CID114582801
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C12H19ClN4O2/c1-4-5-7(2)16-11(18)8(3)17-6-15-10(13)9(14)12(17)19/h6-8H,4-5,14H2,1-3H3,(H,16,18)
InChIKeyBGCQYDYVSKJKDM-UHFFFAOYSA-N
XLogP1.34
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-chloro-4-methyl-5-(methylamino)-6-oxopyrimidin-1-yl]-N-ethylacetamide
CID 60092970
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide
CID 135802456
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)pentanamide
CID 135802459
4-amino-5-(pentylamino)-1H-pyrimidin-6-one
CID 136423385
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide
CID 169130894
(2S)-2-amino-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide
CID 170132858
2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 66340436
5-Amino-6-chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885725
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604200
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604252
5-Amino-6-chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604255

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide (CID 114582801) is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)n1cnc(Cl)c(N)c1=O.
What is the InChIKey of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide?
The InChIKey is BGCQYDYVSKJKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-4-5-7(2)16-11(18)8(3)17-6-15-10(13)9(14)12(17)19/h6-8H,4-5,14H2,1-3H3,(H,16,18).
What are the key properties of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide?
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide has a molecular weight of 286.76 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 114582801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).