4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one

C10H16IN3O — CID 136956815

IUPAC4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCC(C)C(C)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O/c1-6(2)7(3)4-12-9-8(11)10(15)14-5-13-9/h5-7H,4H2,1-3H3,(H2,12,13,14,15)
InChIKeyPMPKKQYMWWOSEM-UHFFFAOYSA-N
MW321.16 g/mol
LogP2.08
Rot. Bonds4

About 4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one

4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136956815) has the molecular formula C10H16IN3O and a molecular weight of 321.16 g/mol. Its IUPAC name is 4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136956815
Molecular FormulaC10H16IN3O
Molecular Weight321.16 g/mol
Exact Mass321.03
IUPAC Name4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCC(C)C(C)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O/c1-6(2)7(3)4-12-9-8(11)10(15)14-5-13-9/h5-7H,4H2,1-3H3,(H2,12,13,14,15)
InChIKeyPMPKKQYMWWOSEM-UHFFFAOYSA-N
XLogP2.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 137003223
4-[(2-chloro-2-cyclopropylethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136971924
4-[(2-hydroxy-2-phenylethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956079
4-[[2-(dimethylamino)-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136956500
4-(3-chloropentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136972130
5-iodo-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one
CID 136956994
2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 136993962
5-iodo-4-(3-methylsulfanylpropylamino)-1H-pyrimidin-6-one
CID 136975807
5-iodo-4-(1-methylsulfinylpropan-2-ylamino)-1H-pyrimidin-6-one
CID 136957156
5-iodo-4-(3-methylsulfinylpropylamino)-1H-pyrimidin-6-one
CID 136957186
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one (CID 136956815) is 4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one is CC(C)C(C)CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is PMPKKQYMWWOSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O/c1-6(2)7(3)4-12-9-8(11)10(15)14-5-13-9/h5-7H,4H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one?
4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 321.16 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136956815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).