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

C11H16IN3O2 — CID 136859483

IUPAC4-[(2-hydroxycyclohexyl)-methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1I)C1CCCCC1O
InChIInChI=1S/C11H16IN3O2/c1-15(7-4-2-3-5-8(7)16)10-9(12)11(17)14-6-13-10/h6-8,16H,2-5H2,1H3,(H,13,14,17)
InChIKeyTXCWQMAGXHPIDU-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.11
Rot. Bonds2

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

4-[(2-hydroxycyclohexyl)-methylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136859483) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 4-[(2-hydroxycyclohexyl)-methylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-hydroxycyclohexyl)-methylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136859483
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name4-[(2-hydroxycyclohexyl)-methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1I)C1CCCCC1O
InChIInChI=1S/C11H16IN3O2/c1-15(7-4-2-3-5-8(7)16)10-9(12)11(17)14-6-13-10/h6-8,16H,2-5H2,1H3,(H,13,14,17)
InChIKeyTXCWQMAGXHPIDU-UHFFFAOYSA-N
XLogP1.11
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 51.11
H-Bond Donors ≤ 52
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-hydroxycyclohexyl)-methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136859480
4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one
CID 136859482
5-chloro-4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one
CID 136859484
5-iodo-4-[methyl(oxan-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136954312
5-bromo-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
CID 136956593
4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
CID 136956594
4-[(2-hydroxycycloheptyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136957107
4-(2-hydroxypentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136957327
5-bromo-4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one
CID 136961835
5-amino-4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one
CID 136961836
5-amino-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
CID 136975352

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxycyclohexyl)-methylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-hydroxycyclohexyl)-methylamino]-5-iodo-1H-pyrimidin-6-one (CID 136859483) is 4-[(2-hydroxycyclohexyl)-methylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-hydroxycyclohexyl)-methylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-hydroxycyclohexyl)-methylamino]-5-iodo-1H-pyrimidin-6-one is CN(c1nc[nH]c(=O)c1I)C1CCCCC1O.
What is the InChIKey of 4-[(2-hydroxycyclohexyl)-methylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is TXCWQMAGXHPIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-15(7-4-2-3-5-8(7)16)10-9(12)11(17)14-6-13-10/h6-8,16H,2-5H2,1H3,(H,13,14,17).
What are the key properties of 4-[(2-hydroxycyclohexyl)-methylamino]-5-iodo-1H-pyrimidin-6-one?
4-[(2-hydroxycyclohexyl)-methylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 349.17 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxycyclohexyl)-methylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136859483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).