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

C8H11IN4O — CID 136977567

IUPAC4-[(3-aminocyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESNC1CC(Nc2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C8H11IN4O/c9-6-7(11-3-12-8(6)14)13-5-1-4(10)2-5/h3-5H,1-2,10H2,(H2,11,12,13,14)
InChIKeyHDYJGEGTJIMYCR-UHFFFAOYSA-N
MW306.11 g/mol
LogP0.28
Rot. Bonds2

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

4-[(3-aminocyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136977567) has the molecular formula C8H11IN4O and a molecular weight of 306.11 g/mol. Its IUPAC name is 4-[(3-aminocyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-aminocyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136977567
Molecular FormulaC8H11IN4O
Molecular Weight306.11 g/mol
Exact Mass306.00
IUPAC Name4-[(3-aminocyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESNC1CC(Nc2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C8H11IN4O/c9-6-7(11-3-12-8(6)14)13-5-1-4(10)2-5/h3-5H,1-2,10H2,(H2,11,12,13,14)
InChIKeyHDYJGEGTJIMYCR-UHFFFAOYSA-N
XLogP0.28
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.11
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956038
4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136857219
4-(3-aminocyclobutyl)oxy-5-iodo-1H-pyrimidin-6-one
CID 114586552
4-[(2-hydroxycyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 137269982
4-[(2,3-dimethylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956847
5-iodo-4-(pyrrolidin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136978824
5-bromo-4-[(3-methylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136957244
4-[(3-aminocyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one
CID 137008593
5-bromo-4-[(3,5-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136956825
4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one
CID 137015485
N-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136956133
4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one
CID 137008663

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-aminocyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136977567) is 4-[(3-aminocyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-aminocyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-aminocyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one is NC1CC(Nc2nc[nH]c(=O)c2I)C1.
What is the InChIKey of 4-[(3-aminocyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is HDYJGEGTJIMYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN4O/c9-6-7(11-3-12-8(6)14)13-5-1-4(10)2-5/h3-5H,1-2,10H2,(H2,11,12,13,14).
What are the key properties of 4-[(3-aminocyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[(3-aminocyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 306.11 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136977567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).