4-[(3-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one

C11H16IN3O2 — CID 136823133

IUPAC4-[(3-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2CCCC(O)C2)c1I
InChIInChI=1S/C11H16IN3O2/c12-9-10(14-6-15-11(9)17)13-5-7-2-1-3-8(16)4-7/h6-8,16H,1-5H2,(H2,13,14,15,17)
InChIKeyUGVWOYVCBKPIJU-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.34
Rot. Bonds3

About 4-[(3-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one

4-[(3-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136823133) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 4-[(3-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136823133
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name4-[(3-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCC2CCCC(O)C2)c1I
InChIInChI=1S/C11H16IN3O2/c12-9-10(14-6-15-11(9)17)13-5-7-2-1-3-8(16)4-7/h6-8,16H,1-5H2,(H2,13,14,15,17)
InChIKeyUGVWOYVCBKPIJU-UHFFFAOYSA-N
XLogP1.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-hydroxycyclohexyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136695134
4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704099
4-[[2-(hydroxymethyl)cyclohexyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136746834
5-amino-4-[(3-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136823126
5-bromo-4-[(3-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136823127
4-[(3-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136823132
5-chloro-4-[(3-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136823134
4-[(4-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136823140
4-[(3-hydroxycyclopentyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136902407
4-[[1-(hydroxymethyl)cyclohexyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136956558
4-[(1-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956784
4-[(2-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956807

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one (CID 136823133) is 4-[(3-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(NCC2CCCC(O)C2)c1I.
What is the InChIKey of 4-[(3-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is UGVWOYVCBKPIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c12-9-10(14-6-15-11(9)17)13-5-7-2-1-3-8(16)4-7/h6-8,16H,1-5H2,(H2,13,14,15,17).
What are the key properties of 4-[(3-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one?
4-[(3-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 349.17 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136823133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).