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

C14H22IN3O — CID 136956994

IUPAC5-iodo-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one
SMILESCC(C)CC1(CNc2nc[nH]c(=O)c2I)CCCC1
InChIInChI=1S/C14H22IN3O/c1-10(2)7-14(5-3-4-6-14)8-16-12-11(15)13(19)18-9-17-12/h9-10H,3-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyVVQMDDFGDMSIOI-UHFFFAOYSA-N
MW375.25 g/mol
LogP3.39
Rot. Bonds5

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

5-iodo-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136956994) has the molecular formula C14H22IN3O and a molecular weight of 375.25 g/mol. Its IUPAC name is 5-iodo-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136956994
Molecular FormulaC14H22IN3O
Molecular Weight375.25 g/mol
Exact Mass375.08
IUPAC Name5-iodo-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one
SMILESCC(C)CC1(CNc2nc[nH]c(=O)c2I)CCCC1
InChIInChI=1S/C14H22IN3O/c1-10(2)7-14(5-3-4-6-14)8-16-12-11(15)13(19)18-9-17-12/h9-10H,3-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyVVQMDDFGDMSIOI-UHFFFAOYSA-N
XLogP3.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 53.39
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

5-chloro-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one
CID 136976376
4-[[1-(aminomethyl)cyclopropyl]methylamino]-5-iodo-1H-pyrimidin-6-one
CID 137008663
5-iodo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696648
4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956815
4-[(1-ethylcyclobutyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 137004958
4-[(2-amino-3-ethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 137003223
5-iodo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 136957096
3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine
CID 106875830
4-[1-(1-adamantyl)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136955925
5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine
CID 80854553
4-[[2-(dimethylamino)-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136956500
4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one
CID 137015485

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one (CID 136956994) is 5-iodo-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one is CC(C)CC1(CNc2nc[nH]c(=O)c2I)CCCC1.
What is the InChIKey of 5-iodo-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is VVQMDDFGDMSIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22IN3O/c1-10(2)7-14(5-3-4-6-14)8-16-12-11(15)13(19)18-9-17-12/h9-10H,3-8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-iodo-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one?
5-iodo-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 375.25 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).