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

C10H14IN3O2 — CID 136696648

IUPAC5-iodo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCOC1(CNc2nc[nH]c(=O)c2I)CCC1
InChIInChI=1S/C10H14IN3O2/c1-16-10(3-2-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyNFUGZUUJWLVFSX-UHFFFAOYSA-N
MW335.15 g/mol
LogP1.36
Rot. Bonds4

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

5-iodo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136696648) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 5-iodo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136696648
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name5-iodo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
SMILESCOC1(CNc2nc[nH]c(=O)c2I)CCC1
InChIInChI=1S/C10H14IN3O2/c1-16-10(3-2-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyNFUGZUUJWLVFSX-UHFFFAOYSA-N
XLogP1.36
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one
CID 137008663
5-iodo-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one
CID 136956994
4-[(1-ethylcyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 137004958
7-[(1-methoxycyclobutyl)methylamino]-6-nitro-3H-quinazolin-4-one
CID 137273785
4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956815
5-bromo-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136857191
4-[[2-(dimethylamino)-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136956500
4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136976700
5-iodo-4-[(5-methylpyrazin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 137016386
1-cyclopropyl-3-[(1-methoxycyclobutyl)methylamino]pyrazin-2-one
CID 103989758
4-[[1-(2-aminoethyl)cyclopropyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136951275
2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 136993962

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one (CID 136696648) is 5-iodo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one is COC1(CNc2nc[nH]c(=O)c2I)CCC1.
What is the InChIKey of 5-iodo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is NFUGZUUJWLVFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-16-10(3-2-4-10)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 5-iodo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one?
5-iodo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 335.15 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136696648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).