3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-diethylpropanamide

C11H17ClN4O2 — CID 136974238

IUPAC3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H17ClN4O2/c1-3-16(4-2)8(17)5-6-13-10-9(12)11(18)15-7-14-10/h7H,3-6H2,1-2H3,(H2,13,14,15,18)
InChIKeyPEGLJNAIJKFJGZ-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.09
Rot. Bonds6

About 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-diethylpropanamide

3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-diethylpropanamide (PubChem CID 136974238) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-diethylpropanamide
PubChem CID136974238
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H17ClN4O2/c1-3-16(4-2)8(17)5-6-13-10-9(12)11(18)15-7-14-10/h7H,3-6H2,1-2H3,(H2,13,14,15,18)
InChIKeyPEGLJNAIJKFJGZ-UHFFFAOYSA-N
XLogP1.09
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880885
5-chloro-4-[2-(propylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977852
5-chloro-4-(3-chloropropylamino)-1H-pyrimidin-6-one
CID 136971845
4-[[(E)-but-2-enyl]amino]-5-chloro-1H-pyrimidin-6-one
CID 137259056
methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136973720
5-chloro-4-(6-chlorohexylamino)-1H-pyrimidin-6-one
CID 136755785
5-chloro-4-(2-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136977253
5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136973947
5-chloro-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819393
5-chloro-4-(2-chloropropylamino)-1H-pyrimidin-6-one
CID 136971856
5-chloro-4-[2-(1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975621
5-chloro-4-(2-chloroprop-2-enylamino)-1H-pyrimidin-6-one
CID 136976977

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-diethylpropanamide (CID 136974238) is 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-diethylpropanamide?
The InChIKey is PEGLJNAIJKFJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-3-16(4-2)8(17)5-6-13-10-9(12)11(18)15-7-14-10/h7H,3-6H2,1-2H3,(H2,13,14,15,18).
What are the key properties of 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-diethylpropanamide?
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-diethylpropanamide has a molecular weight of 272.74 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 136974238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).