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

C9H12IN3O — CID 136971617

IUPAC4-[cyclobutyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1I)C1CCC1
InChIInChI=1S/C9H12IN3O/c1-13(6-3-2-4-6)8-7(10)9(14)12-5-11-8/h5-6H,2-4H2,1H3,(H,11,12,14)
InChIKeyVIGJGWBPNBYBMA-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.36
Rot. Bonds2

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

4-[cyclobutyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136971617) has the molecular formula C9H12IN3O and a molecular weight of 305.12 g/mol. Its IUPAC name is 4-[cyclobutyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclobutyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136971617
Molecular FormulaC9H12IN3O
Molecular Weight305.12 g/mol
Exact Mass305.00
IUPAC Name4-[cyclobutyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1I)C1CCC1
InChIInChI=1S/C9H12IN3O/c1-13(6-3-2-4-6)8-7(10)9(14)12-5-11-8/h5-6H,2-4H2,1H3,(H,11,12,14)
InChIKeyVIGJGWBPNBYBMA-UHFFFAOYSA-N
XLogP1.36
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786690
5-iodo-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136957957
5-iodo-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136971139
6-[(3,3-Difluorocyclobutyl)amino]-5-iodo-3,4-dihydropyrimidin-4-one
CID 164651912
4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136716230
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
4-[3-aminopropyl(cyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136827342

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclobutyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136971617) is 4-[cyclobutyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclobutyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclobutyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one is CN(c1nc[nH]c(=O)c1I)C1CCC1.
What is the InChIKey of 4-[cyclobutyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is VIGJGWBPNBYBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O/c1-13(6-3-2-4-6)8-7(10)9(14)12-5-11-8/h5-6H,2-4H2,1H3,(H,11,12,14).
What are the key properties of 4-[cyclobutyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[cyclobutyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 305.12 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136971617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).