4-[cyclohexyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one

C12H18IN3O — CID 136970671

IUPAC4-[cyclohexyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCN(c1nc[nH]c(=O)c1I)C1CCCCC1
InChIInChI=1S/C12H18IN3O/c1-2-16(9-6-4-3-5-7-9)11-10(13)12(17)15-8-14-11/h8-9H,2-7H2,1H3,(H,14,15,17)
InChIKeySZLZPDSHSFARSK-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.53
Rot. Bonds3

About 4-[cyclohexyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one

4-[cyclohexyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136970671) has the molecular formula C12H18IN3O and a molecular weight of 347.20 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclohexyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136970671
Molecular FormulaC12H18IN3O
Molecular Weight347.20 g/mol
Exact Mass347.05
IUPAC Name4-[cyclohexyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCN(c1nc[nH]c(=O)c1I)C1CCCCC1
InChIInChI=1S/C12H18IN3O/c1-2-16(9-6-4-3-5-7-9)11-10(13)12(17)15-8-14-11/h8-9H,2-7H2,1H3,(H,14,15,17)
InChIKeySZLZPDSHSFARSK-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
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-(Cyclohexylamino)ethyl]-5-iodopyrimidin-4-one
CID 66310358
3-[3-(Cyclohexylamino)propyl]-5-iodopyrimidin-4-one
CID 66310578
3-[2-(Cyclohexylamino)ethyl]-5-iodo-6-methylpyrimidin-4-one
CID 66340670
3-[3-(Cyclohexylamino)propyl]-5-iodo-6-methylpyrimidin-4-one
CID 66342456
4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136716230
5-iodo-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731498
4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136755772
5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778296
5-iodo-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780978
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136780985
5-iodo-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780993
4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136781012

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclohexyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136970671) is 4-[cyclohexyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclohexyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclohexyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one is CCN(c1nc[nH]c(=O)c1I)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is SZLZPDSHSFARSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O/c1-2-16(9-6-4-3-5-7-9)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-[cyclohexyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[cyclohexyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 347.20 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136970671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).