5-iodo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one

C11H16IN3O — CID 136824072

IUPAC5-iodo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCC(C)C1(CNc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C11H16IN3O/c1-7(2)11(3-4-11)5-13-9-8(12)10(16)15-6-14-9/h6-7H,3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyJMVQPDMHDOEZLO-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.22
Rot. Bonds4

About 5-iodo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one

5-iodo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136824072) has the molecular formula C11H16IN3O and a molecular weight of 333.17 g/mol. Its IUPAC name is 5-iodo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136824072
Molecular FormulaC11H16IN3O
Molecular Weight333.17 g/mol
Exact Mass333.03
IUPAC Name5-iodo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCC(C)C1(CNc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C11H16IN3O/c1-7(2)11(3-4-11)5-13-9-8(12)10(16)15-6-14-9/h6-7H,3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyJMVQPDMHDOEZLO-UHFFFAOYSA-N
XLogP2.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.22
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-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-bromo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136824073
5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136824074
4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136824085
5-amino-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136824088
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

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 136824072) is 5-iodo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one is CC(C)C1(CNc2nc[nH]c(=O)c2I)CC1.
What is the InChIKey of 5-iodo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is JMVQPDMHDOEZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O/c1-7(2)11(3-4-11)5-13-9-8(12)10(16)15-6-14-9/h6-7H,3-5H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-iodo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
5-iodo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 333.17 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136824072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).