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

C10H17N3O2 — CID 136975419

IUPAC4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one
SMILESCCC(CC)(CO)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O2/c1-3-10(4-2,6-14)13-8-5-9(15)12-7-11-8/h5,7,14H,3-4,6H2,1-2H3,(H2,11,12,13,15)
InChIKeyCWNRYXZRDCMPSJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.73
Rot. Bonds5

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

4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one (PubChem CID 136975419) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one
PubChem CID136975419
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one
SMILESCCC(CC)(CO)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O2/c1-3-10(4-2,6-14)13-8-5-9(15)12-7-11-8/h5,7,14H,3-4,6H2,1-2H3,(H2,11,12,13,15)
InChIKeyCWNRYXZRDCMPSJ-UHFFFAOYSA-N
XLogP0.73
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703828
4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703837
4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730476
4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757525
4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817758
4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847961
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847970
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849677
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136849678
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864263
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one
CID 136866839
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136870597

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one (CID 136975419) is 4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one is CCC(CC)(CO)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one?
The InChIKey is CWNRYXZRDCMPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-10(4-2,6-14)13-8-5-9(15)12-7-11-8/h5,7,14H,3-4,6H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one?
4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).