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

C11H17IN4O — CID 136827342

IUPAC4-[3-aminopropyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESNCCCN(c1nc[nH]c(=O)c1I)C1CCC1
InChIInChI=1S/C11H17IN4O/c12-9-10(14-7-15-11(9)17)16(6-2-5-13)8-3-1-4-8/h7-8H,1-6,13H2,(H,14,15,17)
InChIKeyVUYUVKXPBFOHDI-UHFFFAOYSA-N
MW348.19 g/mol
LogP1.08
Rot. Bonds5

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

4-[3-aminopropyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136827342) has the molecular formula C11H17IN4O and a molecular weight of 348.19 g/mol. Its IUPAC name is 4-[3-aminopropyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-aminopropyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136827342
Molecular FormulaC11H17IN4O
Molecular Weight348.19 g/mol
Exact Mass348.04
IUPAC Name4-[3-aminopropyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESNCCCN(c1nc[nH]c(=O)c1I)C1CCC1
InChIInChI=1S/C11H17IN4O/c12-9-10(14-7-15-11(9)17)16(6-2-5-13)8-3-1-4-8/h7-8H,1-6,13H2,(H,14,15,17)
InChIKeyVUYUVKXPBFOHDI-UHFFFAOYSA-N
XLogP1.08
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 51.08
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

6-[(3,3-Difluorocyclobutyl)amino]-5-iodo-3,4-dihydropyrimidin-4-one
CID 164651912
4-(2,4-dimethyl-1,4-diazepan-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136726420
4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136726437
4-[3-(dimethylamino)propyl-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136752197
4-[1-(dimethylamino)propan-2-yl-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136800369
4-[3-bromopropyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136827323
4-[3-chloropropyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136827326
4-[2-bromoethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136827329
4-[2-chloroethyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136827332
5-amino-4-[3-aminopropyl(cyclobutyl)amino]-1H-pyrimidin-6-one
CID 136827334
4-[3-aminopropyl(cyclobutyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136827335
4-[3-aminopropyl(cyclobutyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136827338

Frequently Asked Questions

What is the IUPAC name of 4-[3-aminopropyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-aminopropyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136827342) is 4-[3-aminopropyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-aminopropyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-aminopropyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one is NCCCN(c1nc[nH]c(=O)c1I)C1CCC1.
What is the InChIKey of 4-[3-aminopropyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is VUYUVKXPBFOHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4O/c12-9-10(14-7-15-11(9)17)16(6-2-5-13)8-3-1-4-8/h7-8H,1-6,13H2,(H,14,15,17).
What are the key properties of 4-[3-aminopropyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[3-aminopropyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 348.19 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-aminopropyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136827342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).