4-[3-(hydroxymethyl)pentan-3-ylamino]-5-methoxy-1H-pyrimidin-6-one

C11H19N3O3 — CID 136975426

IUPAC4-[3-(hydroxymethyl)pentan-3-ylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(CC)(CO)Nc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H19N3O3/c1-4-11(5-2,6-15)14-9-8(17-3)10(16)13-7-12-9/h7,15H,4-6H2,1-3H3,(H2,12,13,14,16)
InChIKeyQQRXSTGWPLLSOM-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.74
Rot. Bonds6

About 4-[3-(hydroxymethyl)pentan-3-ylamino]-5-methoxy-1H-pyrimidin-6-one

4-[3-(hydroxymethyl)pentan-3-ylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136975426) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)pentan-3-ylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)pentan-3-ylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136975426
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-[3-(hydroxymethyl)pentan-3-ylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC(CC)(CO)Nc1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H19N3O3/c1-4-11(5-2,6-15)14-9-8(17-3)10(16)13-7-12-9/h7,15H,4-6H2,1-3H3,(H2,12,13,14,16)
InChIKeyQQRXSTGWPLLSOM-UHFFFAOYSA-N
XLogP0.74
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-2-ethylbutoxy)-5-methoxy-1H-pyrimidin-6-one
CID 114586480
4-(2-amino-2-methylbutoxy)-5-methoxy-1H-pyrimidin-6-one
CID 114586489
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703831
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-[(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
4-(5-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136759211
4-(4-hydroxybutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136772465
4-[(3-ethyl-2-hydroxypentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136817764
4-[(2-hydroxy-2-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136819386
4-[(1-hydroxy-4-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136847964

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)pentan-3-ylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(hydroxymethyl)pentan-3-ylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136975426) is 4-[3-(hydroxymethyl)pentan-3-ylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(hydroxymethyl)pentan-3-ylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(hydroxymethyl)pentan-3-ylamino]-5-methoxy-1H-pyrimidin-6-one is CCC(CC)(CO)Nc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[3-(hydroxymethyl)pentan-3-ylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is QQRXSTGWPLLSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-11(5-2,6-15)14-9-8(17-3)10(16)13-7-12-9/h7,15H,4-6H2,1-3H3,(H2,12,13,14,16).
What are the key properties of 4-[3-(hydroxymethyl)pentan-3-ylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[3-(hydroxymethyl)pentan-3-ylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)pentan-3-ylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136975426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).