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

C10H15ClN4O2 — CID 114582499

IUPAC2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C10H15ClN4O2/c1-3-4-13-9(16)6(2)15-5-14-8(11)7(12)10(15)17/h5-6H,3-4,12H2,1-2H3,(H,13,16)
InChIKeyXDVCOONUBYTTSP-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.57
Rot. Bonds4

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

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide (PubChem CID 114582499) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide
PubChem CID114582499
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C10H15ClN4O2/c1-3-4-13-9(16)6(2)15-5-14-8(11)7(12)10(15)17/h5-6H,3-4,12H2,1-2H3,(H,13,16)
InChIKeyXDVCOONUBYTTSP-UHFFFAOYSA-N
XLogP0.57
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pepteridine A
CID 146684612
Pyrimidine, 4-amino-5-diethylamino-6-hydroxy-
CID 171384005
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114582754
6-Amino-5-butylamino-4(3H)-pyrimidinone
CID 135577490
6-Methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one
CID 20671629
2-[2-chloro-4-methyl-5-(methylamino)-6-oxopyrimidin-1-yl]-N-ethylacetamide
CID 60092970
N-(4-Amino-6-oxo-1,6-dihydropyrimidin-5-YL)acetamide
CID 135441457
N-(4-amino-6-oxo-1,6-dihydropyrimidin-5-yl)isobutyramide
CID 135741768
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide
CID 135802456
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]-methylamino]propanamide
CID 169130886
N-(1-methyl-6-oxopyrimidin-5-yl)propanamide
CID 170387111

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide?
The IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide (CID 114582499) is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide?
The canonical SMILES for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide is CCCNC(=O)C(C)n1cnc(Cl)c(N)c1=O.
What is the InChIKey of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide?
The InChIKey is XDVCOONUBYTTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-3-4-13-9(16)6(2)15-5-14-8(11)7(12)10(15)17/h5-6H,3-4,12H2,1-2H3,(H,13,16).
What are the key properties of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide?
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide has a molecular weight of 258.71 g/mol, XLogP of 0.57, 4 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-propylpropanamide is sourced from PubChem (CID 114582499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).