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

C12H18IN3O — CID 136957719

IUPAC4-[cyclohexylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(CC1CCCCC1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C12H18IN3O/c1-16(7-9-5-3-2-4-6-9)11-10(13)12(17)15-8-14-11/h8-9H,2-7H2,1H3,(H,14,15,17)
InChIKeyMRZOEFQRUYGBFD-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.39
Rot. Bonds3

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

4-[cyclohexylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136957719) has the molecular formula C12H18IN3O and a molecular weight of 347.20 g/mol. Its IUPAC name is 4-[cyclohexylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclohexylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136957719
Molecular FormulaC12H18IN3O
Molecular Weight347.20 g/mol
Exact Mass347.05
IUPAC Name4-[cyclohexylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(CC1CCCCC1)c1nc[nH]c(=O)c1I
InChIInChI=1S/C12H18IN3O/c1-16(7-9-5-3-2-4-6-9)11-10(13)12(17)15-8-14-11/h8-9H,2-7H2,1H3,(H,14,15,17)
InChIKeyMRZOEFQRUYGBFD-UHFFFAOYSA-N
XLogP2.39
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.39
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

3-[2-(Cyclohexylmethylamino)ethyl]-5-iodo-6-methylpyrimidin-4-one
CID 66340022
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-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136716230
4-[(1-ethylcyclopentyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136723583
5-iodo-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136762615
5-iodo-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136786654
4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136786657
5-iodo-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794535
4-[ethyl(piperidin-3-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136805349

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclohexylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136957719) is 4-[cyclohexylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclohexylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclohexylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one is CN(CC1CCCCC1)c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[cyclohexylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is MRZOEFQRUYGBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O/c1-16(7-9-5-3-2-4-6-9)11-10(13)12(17)15-8-14-11/h8-9H,2-7H2,1H3,(H,14,15,17).
What are the key properties of 4-[cyclohexylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[cyclohexylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 347.20 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexylmethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136957719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).