3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide

C9H13ClN4O2 — CID 114582805

IUPAC3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C9H13ClN4O2/c1-2-12-6(15)3-4-14-5-13-8(10)7(11)9(14)16/h5H,2-4,11H2,1H3,(H,12,15)
InChIKeyTYNLTPCAWUTWCN-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.01
Rot. Bonds4

About 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide

3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide (PubChem CID 114582805) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
PubChem CID114582805
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C9H13ClN4O2/c1-2-12-6(15)3-4-14-5-13-8(10)7(11)9(14)16/h5H,2-4,11H2,1H3,(H,12,15)
InChIKeyTYNLTPCAWUTWCN-UHFFFAOYSA-N
XLogP0.01
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114582754
2-[2-chloro-4-methyl-5-(methylamino)-6-oxopyrimidin-1-yl]-N-ethylacetamide
CID 60092970
4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane
CID 143220714
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]amino]propanamide
CID 169130885
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-methylamino]propanamide
CID 169130886
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-(3-aminopropyl)amino]propanamide
CID 169130889
2-Amino-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide
CID 81941543
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604252
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butylpropanamide
CID 113604264
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 113604268
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
CID 113604274
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604275

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The IUPAC name of 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide (CID 114582805) is 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide is CCNC(=O)CCn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
The InChIKey is TYNLTPCAWUTWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-2-12-6(15)3-4-14-5-13-8(10)7(11)9(14)16/h5H,2-4,11H2,1H3,(H,12,15).
What are the key properties of 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide?
3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide has a molecular weight of 244.68 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 114582805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).