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

C10H14IN3O — CID 136852225

IUPAC4-[(1-ethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCCC1(CNc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C10H14IN3O/c1-2-10(3-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyDTBSGNKYXJQJPA-UHFFFAOYSA-N
MW319.15 g/mol
LogP1.98
Rot. Bonds4

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

4-[(1-ethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136852225) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 4-[(1-ethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-ethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136852225
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name4-[(1-ethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCCC1(CNc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C10H14IN3O/c1-2-10(3-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyDTBSGNKYXJQJPA-UHFFFAOYSA-N
XLogP1.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 51.98
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-[(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
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
5-amino-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852222
5-chloro-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852224
4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852227
5-bromo-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852228
5-iodo-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852234

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-ethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one (CID 136852225) is 4-[(1-ethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-ethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-ethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one is CCC1(CNc2nc[nH]c(=O)c2I)CC1.
What is the InChIKey of 4-[(1-ethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is DTBSGNKYXJQJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-2-10(3-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-[(1-ethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one?
4-[(1-ethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 319.15 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136852225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).