5-iodo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one

C9H12IN3O — CID 136852215

IUPAC5-iodo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C9H12IN3O/c1-9(2-3-9)4-11-7-6(10)8(14)13-5-12-7/h5H,2-4H2,1H3,(H2,11,12,13,14)
InChIKeyCIXSTGBJZFMQDY-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.59
Rot. Bonds3

About 5-iodo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one

5-iodo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136852215) has the molecular formula C9H12IN3O and a molecular weight of 305.12 g/mol. Its IUPAC name is 5-iodo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136852215
Molecular FormulaC9H12IN3O
Molecular Weight305.12 g/mol
Exact Mass305.00
IUPAC Name5-iodo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(CNc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C9H12IN3O/c1-9(2-3-9)4-11-7-6(10)8(14)13-5-12-7/h5H,2-4H2,1H3,(H2,11,12,13,14)
InChIKeyCIXSTGBJZFMQDY-UHFFFAOYSA-N
XLogP1.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.59
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

5-iodo-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136762578
4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136768844
5-iodo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136824072
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 136843229
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 136843238
5-iodo-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one
CID 136852204
5-amino-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852211
5-chloro-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852214
4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852217
5-bromo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852218
4-[(1-ethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136852225
5-iodo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852234

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 136852215) is 5-iodo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one is CC1(CNc2nc[nH]c(=O)c2I)CC1.
What is the InChIKey of 5-iodo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is CIXSTGBJZFMQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O/c1-9(2-3-9)4-11-7-6(10)8(14)13-5-12-7/h5H,2-4H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-iodo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
5-iodo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 305.12 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136852215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).