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

C10H16IN3O2 — CID 136975424

IUPAC4-[3-(hydroxymethyl)pentan-3-ylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCCC(CC)(CO)Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O2/c1-3-10(4-2,5-15)14-8-7(11)9(16)13-6-12-8/h6,15H,3-5H2,1-2H3,(H2,12,13,14,16)
InChIKeyVNVOWVRXUVWXGK-UHFFFAOYSA-N
MW337.16 g/mol
LogP1.34
Rot. Bonds5

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

4-[3-(hydroxymethyl)pentan-3-ylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136975424) has the molecular formula C10H16IN3O2 and a molecular weight of 337.16 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)pentan-3-ylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)pentan-3-ylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136975424
Molecular FormulaC10H16IN3O2
Molecular Weight337.16 g/mol
Exact Mass337.03
IUPAC Name4-[3-(hydroxymethyl)pentan-3-ylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCCC(CC)(CO)Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O2/c1-3-10(4-2,5-15)14-8-7(11)9(16)13-6-12-8/h6,15H,3-5H2,1-2H3,(H2,12,13,14,16)
InChIKeyVNVOWVRXUVWXGK-UHFFFAOYSA-N
XLogP1.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136703826
4-[(2-hydroxy-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136703835
4-[[4-(hydroxymethyl)oxan-4-yl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136730477
5-iodo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757521
4-[(3-ethyl-2-hydroxypentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136817761
4-[(1-hydroxy-4-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136847966
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136847975
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]-5-iodo-1H-pyrimidin-6-one
CID 136864264
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136866840
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136870598

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)pentan-3-ylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(hydroxymethyl)pentan-3-ylamino]-5-iodo-1H-pyrimidin-6-one (CID 136975424) is 4-[3-(hydroxymethyl)pentan-3-ylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(hydroxymethyl)pentan-3-ylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(hydroxymethyl)pentan-3-ylamino]-5-iodo-1H-pyrimidin-6-one is CCC(CC)(CO)Nc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[3-(hydroxymethyl)pentan-3-ylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is VNVOWVRXUVWXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O2/c1-3-10(4-2,5-15)14-8-7(11)9(16)13-6-12-8/h6,15H,3-5H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 4-[3-(hydroxymethyl)pentan-3-ylamino]-5-iodo-1H-pyrimidin-6-one?
4-[3-(hydroxymethyl)pentan-3-ylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 337.16 g/mol, XLogP of 1.34, 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]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136975424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).