4-[2-(2-aminoethyl)pentylamino]-2-cyclopropyl-1H-pyrimidin-6-one

C14H24N4O — CID 136704107

IUPAC4-[2-(2-aminoethyl)pentylamino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCCCC(CCN)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H24N4O/c1-2-3-10(6-7-15)9-16-12-8-13(19)18-14(17-12)11-4-5-11/h8,10-11H,2-7,9,15H2,1H3,(H2,16,17,18,19)
InChIKeyUTCDCYZBSGFWRZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.82
Rot. Bonds8

About 4-[2-(2-aminoethyl)pentylamino]-2-cyclopropyl-1H-pyrimidin-6-one

4-[2-(2-aminoethyl)pentylamino]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136704107) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[2-(2-aminoethyl)pentylamino]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(2-aminoethyl)pentylamino]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136704107
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-[2-(2-aminoethyl)pentylamino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCCCC(CCN)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H24N4O/c1-2-3-10(6-7-15)9-16-12-8-13(19)18-14(17-12)11-4-5-11/h8,10-11H,2-7,9,15H2,1H3,(H2,16,17,18,19)
InChIKeyUTCDCYZBSGFWRZ-UHFFFAOYSA-N
XLogP1.82
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-(2-aminoethyl)pentylamino]-2-cyclopropyl-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-cyclopropyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976593
2-cyclopropyl-4-(methylamino)-1H-pyrimidin-6-one
CID 136294346
2-propan-2-yl-4-(propylamino)-1H-pyrimidin-6-one
CID 136294351
2-cyclopropyl-4-(ethylamino)-1H-pyrimidin-6-one
CID 136294352
2-cyclopropyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136294353
4-(dimethylamino)-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136314511
4-(dimethylamino)-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 136314513
4-(dimethylamino)-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136345065
4-(dimethylamino)-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 136345067
4-amino-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 136392510
4-amino-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136392511
4-[(2-amino-1-cyclopentylethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136672017

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethyl)pentylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(2-aminoethyl)pentylamino]-2-cyclopropyl-1H-pyrimidin-6-one (CID 136704107) is 4-[2-(2-aminoethyl)pentylamino]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(2-aminoethyl)pentylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(2-aminoethyl)pentylamino]-2-cyclopropyl-1H-pyrimidin-6-one is CCCC(CCN)CNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-[2-(2-aminoethyl)pentylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is UTCDCYZBSGFWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-3-10(6-7-15)9-16-12-8-13(19)18-14(17-12)11-4-5-11/h8,10-11H,2-7,9,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-[2-(2-aminoethyl)pentylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[2-(2-aminoethyl)pentylamino]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethyl)pentylamino]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136704107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).