4-[(3-aminocyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one

C10H15IN4O — CID 137008593

IUPAC4-[(3-aminocyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(CC1CC(N)C1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN4O/c1-15(4-6-2-7(12)3-6)9-8(11)10(16)14-5-13-9/h5-7H,2-4,12H2,1H3,(H,13,14,16)
InChIKeyUGAFUQHPSHRYGE-UHFFFAOYSA-N
MW334.16 g/mol
LogP0.55
Rot. Bonds3

About 4-[(3-aminocyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one

4-[(3-aminocyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 137008593) has the molecular formula C10H15IN4O and a molecular weight of 334.16 g/mol. Its IUPAC name is 4-[(3-aminocyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-aminocyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID137008593
Molecular FormulaC10H15IN4O
Molecular Weight334.16 g/mol
Exact Mass334.03
IUPAC Name4-[(3-aminocyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(CC1CC(N)C1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN4O/c1-15(4-6-2-7(12)3-6)9-8(11)10(16)14-5-13-9/h5-7H,2-4,12H2,1H3,(H,13,14,16)
InChIKeyUGAFUQHPSHRYGE-UHFFFAOYSA-N
XLogP0.55
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-aminocyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one (CID 137008593) is 4-[(3-aminocyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-aminocyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-aminocyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one is CN(CC1CC(N)C1)c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[(3-aminocyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is UGAFUQHPSHRYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O/c1-15(4-6-2-7(12)3-6)9-8(11)10(16)14-5-13-9/h5-7H,2-4,12H2,1H3,(H,13,14,16).
What are the key properties of 4-[(3-aminocyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one?
4-[(3-aminocyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 334.16 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 137008593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).