4-[5-(diethylamino)pentan-2-ylamino]-1H-pyrimidin-6-one

C13H24N4O — CID 136955976

IUPAC4-[5-(diethylamino)pentan-2-ylamino]-1H-pyrimidin-6-one
SMILESCCN(CC)CCCC(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C13H24N4O/c1-4-17(5-2)8-6-7-11(3)16-12-9-13(18)15-10-14-12/h9-11H,4-8H2,1-3H3,(H2,14,15,16,18)
InChIKeyZSZWFHDXQQWEKR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.69
Rot. Bonds8

About 4-[5-(diethylamino)pentan-2-ylamino]-1H-pyrimidin-6-one

4-[5-(diethylamino)pentan-2-ylamino]-1H-pyrimidin-6-one (PubChem CID 136955976) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[5-(diethylamino)pentan-2-ylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[5-(diethylamino)pentan-2-ylamino]-1H-pyrimidin-6-one
PubChem CID136955976
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[5-(diethylamino)pentan-2-ylamino]-1H-pyrimidin-6-one
SMILESCCN(CC)CCCC(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C13H24N4O/c1-4-17(5-2)8-6-7-11(3)16-12-9-13(18)15-10-14-12/h9-11H,4-8H2,1-3H3,(H2,14,15,16,18)
InChIKeyZSZWFHDXQQWEKR-UHFFFAOYSA-N
XLogP1.69
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[5-(diethylamino)pentan-2-ylamino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-(cyclopentylamino)-1H-pyrimidin-4-one
CID 135408692
6-(Piperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957380
6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
2-Amino-6-(cyclohexylamino)pyrimidin-4(1h)-one
CID 135402393
6-(Cyclohexylamino)pyrimidin-4(1H)-one
CID 136271514
4-(octylamino)-1H-pyrimidin-6-one
CID 136333761
4-[butan-2-yl(ethyl)amino]-1H-pyrimidin-6-one
CID 136449958
4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 136650100
4-(pentylamino)-1H-pyrimidin-6-one
CID 136955957
4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
6-(4-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136958169
4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136978103

Frequently Asked Questions

What is the IUPAC name of 4-[5-(diethylamino)pentan-2-ylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[5-(diethylamino)pentan-2-ylamino]-1H-pyrimidin-6-one (CID 136955976) is 4-[5-(diethylamino)pentan-2-ylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[5-(diethylamino)pentan-2-ylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[5-(diethylamino)pentan-2-ylamino]-1H-pyrimidin-6-one is CCN(CC)CCCC(C)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[5-(diethylamino)pentan-2-ylamino]-1H-pyrimidin-6-one?
The InChIKey is ZSZWFHDXQQWEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-17(5-2)8-6-7-11(3)16-12-9-13(18)15-10-14-12/h9-11H,4-8H2,1-3H3,(H2,14,15,16,18).
What are the key properties of 4-[5-(diethylamino)pentan-2-ylamino]-1H-pyrimidin-6-one?
4-[5-(diethylamino)pentan-2-ylamino]-1H-pyrimidin-6-one has a molecular weight of 252.36 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(diethylamino)pentan-2-ylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136955976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).