5-iodo-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one

C11H16IN3O — CID 136867417

IUPAC5-iodo-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1CCCC1CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C11H16IN3O/c1-7-3-2-4-8(7)5-13-10-9(12)11(16)15-6-14-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyDZGWZGYWOBHZOP-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.22
Rot. Bonds3

About 5-iodo-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one

5-iodo-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136867417) has the molecular formula C11H16IN3O and a molecular weight of 333.17 g/mol. Its IUPAC name is 5-iodo-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136867417
Molecular FormulaC11H16IN3O
Molecular Weight333.17 g/mol
Exact Mass333.03
IUPAC Name5-iodo-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1CCCC1CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C11H16IN3O/c1-7-3-2-4-8(7)5-13-10-9(12)11(16)15-6-14-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyDZGWZGYWOBHZOP-UHFFFAOYSA-N
XLogP2.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one
CID 159090684
4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane
CID 160966104
5-iodo-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701815
4-(2-ethylhexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136701822
4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701823
4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704111
4-[(1-ethylcyclopentyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136723583
5-iodo-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136786654
5-iodo-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136825669
5-iodo-4-[(4-methylcycloheptyl)amino]-1H-pyrimidin-6-one
CID 136852184
5-iodo-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136867383
4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136867385

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one (CID 136867417) is 5-iodo-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one is CC1CCCC1CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is DZGWZGYWOBHZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O/c1-7-3-2-4-8(7)5-13-10-9(12)11(16)15-6-14-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-iodo-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one?
5-iodo-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 333.17 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136867417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).