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

C14H26N4O — CID 136704109

IUPAC4-[2-(2-aminoethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCC(CCN)CNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H26N4O/c1-4-5-11(6-7-15)9-16-12-8-13(19)18-14(17-12)10(2)3/h8,10-11H,4-7,9,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyNISSCJUHKVZRDB-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.07
Rot. Bonds8

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

4-[2-(2-aminoethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136704109) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-[2-(2-aminoethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(2-aminoethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136704109
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-[2-(2-aminoethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCC(CCN)CNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H26N4O/c1-4-5-11(6-7-15)9-16-12-8-13(19)18-14(17-12)10(2)3/h8,10-11H,4-7,9,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyNISSCJUHKVZRDB-UHFFFAOYSA-N
XLogP2.07
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.07
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-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(2-aminoethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136704109) is 4-[2-(2-aminoethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(2-aminoethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(2-aminoethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CCCC(CCN)CNc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[2-(2-aminoethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is NISSCJUHKVZRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-5-11(6-7-15)9-16-12-8-13(19)18-14(17-12)10(2)3/h8,10-11H,4-7,9,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-[2-(2-aminoethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[2-(2-aminoethyl)pentylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 266.39 g/mol, XLogP of 2.07, 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-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136704109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).