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

C11H16IN3O — CID 136852234

IUPAC5-iodo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCCCC1(CNc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C11H16IN3O/c1-2-3-11(4-5-11)6-13-9-8(12)10(16)15-7-14-9/h7H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyPPBXHPUFFWDDTM-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.37
Rot. Bonds5

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

5-iodo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136852234) has the molecular formula C11H16IN3O and a molecular weight of 333.17 g/mol. Its IUPAC name is 5-iodo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136852234
Molecular FormulaC11H16IN3O
Molecular Weight333.17 g/mol
Exact Mass333.03
IUPAC Name5-iodo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCCCC1(CNc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C11H16IN3O/c1-2-3-11(4-5-11)6-13-9-8(12)10(16)15-7-14-9/h7H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyPPBXHPUFFWDDTM-UHFFFAOYSA-N
XLogP2.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-iodo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-iodo-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701815
4-(2-ethylhexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136701822
4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704111
4-[(1-ethylcyclopentyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136723583
5-iodo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756217
4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136768844
5-iodo-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794535
5-iodo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136824072
4-[(1-amino-4,4-dimethylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136848640
5-iodo-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one
CID 136852204
5-iodo-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852215
4-[(1-ethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136852225

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 136852234) is 5-iodo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one is CCCC1(CNc2nc[nH]c(=O)c2I)CC1.
What is the InChIKey of 5-iodo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is PPBXHPUFFWDDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O/c1-2-3-11(4-5-11)6-13-9-8(12)10(16)15-7-14-9/h7H,2-6H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-iodo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
5-iodo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 333.17 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136852234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).