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

C13H24N4O — CID 136704108

IUPAC4-[2-(2-aminoethyl)pentylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCCC(CCN)CNc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C13H24N4O/c1-3-5-10(6-7-14)9-15-12-8-13(18)17-11(4-2)16-12/h8,10H,3-7,9,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyZVIYXXHPMLFBHU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.51
Rot. Bonds8

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

4-[2-(2-aminoethyl)pentylamino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136704108) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[2-(2-aminoethyl)pentylamino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(2-aminoethyl)pentylamino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136704108
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[2-(2-aminoethyl)pentylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCCC(CCN)CNc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C13H24N4O/c1-3-5-10(6-7-14)9-15-12-8-13(18)17-11(4-2)16-12/h8,10H,3-7,9,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyZVIYXXHPMLFBHU-UHFFFAOYSA-N
XLogP1.51
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976595
2-(2-piperidin-3-ylethyl)-1H-pyrimidin-6-one
CID 84035398
2-(azepan-3-ylmethyl)-1H-pyrimidin-6-one
CID 84675425
2-(azepan-4-ylmethyl)-1H-pyrimidin-6-one
CID 84675429
4-methoxy-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 105480520
2-methyl-4-(octylamino)-1H-pyrimidin-6-one
CID 135818518
4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one
CID 135818519
4-amino-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 136077640
4-amino-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 136077747
4-amino-2-(3-methylbutyl)-1H-pyrimidin-6-one
CID 136104558
2-propyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136278176
4-(ethylamino)-2-propyl-1H-pyrimidin-6-one
CID 136278177

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethyl)pentylamino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(2-aminoethyl)pentylamino]-2-ethyl-1H-pyrimidin-6-one (CID 136704108) is 4-[2-(2-aminoethyl)pentylamino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(2-aminoethyl)pentylamino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(2-aminoethyl)pentylamino]-2-ethyl-1H-pyrimidin-6-one is CCCC(CCN)CNc1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 4-[2-(2-aminoethyl)pentylamino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is ZVIYXXHPMLFBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-5-10(6-7-14)9-15-12-8-13(18)17-11(4-2)16-12/h8,10H,3-7,9,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-[2-(2-aminoethyl)pentylamino]-2-ethyl-1H-pyrimidin-6-one?
4-[2-(2-aminoethyl)pentylamino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 252.36 g/mol, XLogP of 1.51, 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-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136704108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).