4-[butyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one

C9H14IN3O — CID 136993915

IUPAC4-[butyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCCCN(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C9H14IN3O/c1-3-4-5-13(2)8-7(10)9(14)12-6-11-8/h6H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyNROQWKSMBFXPHC-UHFFFAOYSA-N
MW307.14 g/mol
LogP1.61
Rot. Bonds4

About 4-[butyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one

4-[butyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136993915) has the molecular formula C9H14IN3O and a molecular weight of 307.14 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[butyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136993915
Molecular FormulaC9H14IN3O
Molecular Weight307.14 g/mol
Exact Mass307.02
IUPAC Name4-[butyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCCCN(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C9H14IN3O/c1-3-4-5-13(2)8-7(10)9(14)12-6-11-8/h6H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyNROQWKSMBFXPHC-UHFFFAOYSA-N
XLogP1.61
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[5-hydroxypentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136766324
4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137009015
4-[2-bromoethyl(butyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136971985
methyl 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanoate
CID 137007656
ethyl 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007638
5-iodo-4-[methyl(pyridin-4-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136993976
4-[cyclohexylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136957719
4-[(3-aminocyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one
CID 137008593
4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136972460
4-[bis(2-ethoxyethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136958061
4-[(4-bromothiophen-2-yl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136971079
5-iodo-4-[(4-methoxyphenyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136970981

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[butyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136993915) is 4-[butyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[butyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[butyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one is CCCCN(C)c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[butyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is NROQWKSMBFXPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3O/c1-3-4-5-13(2)8-7(10)9(14)12-6-11-8/h6H,3-5H2,1-2H3,(H,11,12,14).
What are the key properties of 4-[butyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[butyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 307.14 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136993915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).