4-[(2,3-dimethylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one

C11H16IN3O — CID 136956847

IUPAC4-[(2,3-dimethylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCC1CCC(Nc2nc[nH]c(=O)c2I)C1C
InChIInChI=1S/C11H16IN3O/c1-6-3-4-8(7(6)2)15-10-9(12)11(16)14-5-13-10/h5-8H,3-4H2,1-2H3,(H2,13,14,15,16)
InChIKeyQODOSGNDBLUOSG-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.22
Rot. Bonds2

About 4-[(2,3-dimethylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one

4-[(2,3-dimethylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136956847) has the molecular formula C11H16IN3O and a molecular weight of 333.17 g/mol. Its IUPAC name is 4-[(2,3-dimethylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,3-dimethylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136956847
Molecular FormulaC11H16IN3O
Molecular Weight333.17 g/mol
Exact Mass333.03
IUPAC Name4-[(2,3-dimethylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCC1CCC(Nc2nc[nH]c(=O)c2I)C1C
InChIInChI=1S/C11H16IN3O/c1-6-3-4-8(7(6)2)15-10-9(12)11(16)14-5-13-10/h5-8H,3-4H2,1-2H3,(H2,13,14,15,16)
InChIKeyQODOSGNDBLUOSG-UHFFFAOYSA-N
XLogP2.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-hydroxycyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 137269982
4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136857219
4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956038
4-[(3-aminocyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136977567
5-iodo-4-(pyrrolidin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136978824
3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
CID 115677773
4-[[1-(chloromethyl)-4-methylcyclohexyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136990250
4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one
CID 137015485
4-(1-cyclopropylbutan-2-ylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956690
4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136975443
4-[(2-chloro-2-cyclopropylethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136971924
5-iodo-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956097

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,3-dimethylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136956847) is 4-[(2,3-dimethylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,3-dimethylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,3-dimethylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one is CC1CCC(Nc2nc[nH]c(=O)c2I)C1C.
What is the InChIKey of 4-[(2,3-dimethylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is QODOSGNDBLUOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O/c1-6-3-4-8(7(6)2)15-10-9(12)11(16)14-5-13-10/h5-8H,3-4H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-[(2,3-dimethylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[(2,3-dimethylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 333.17 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136956847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).