4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one

C12H22N4O2 — CID 136704105

IUPAC4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCCC(CCN)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H22N4O2/c1-3-4-9(5-6-13)7-14-11-10(18-2)12(17)16-8-15-11/h8-9H,3-7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyNXMVZNDEQUHVKX-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.96
Rot. Bonds8

About 4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one

4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136704105) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136704105
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCCC(CCN)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H22N4O2/c1-3-4-9(5-6-13)7-14-11-10(18-2)12(17)16-8-15-11/h8-9H,3-7,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyNXMVZNDEQUHVKX-UHFFFAOYSA-N
XLogP0.96
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672016
4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696644
5-methoxy-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701810
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
4-[(2-hydroxy-4-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703840
4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704103
4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136733812
5-methoxy-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750472
4-[(1-amino-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136757098
5-methoxy-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757518
5-methoxy-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764965

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136704105) is 4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one is CCCC(CCN)CNc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is NXMVZNDEQUHVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-4-9(5-6-13)7-14-11-10(18-2)12(17)16-8-15-11/h8-9H,3-7,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 254.33 g/mol, XLogP of 0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136704105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).