[4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol

C13H21N3O — CID 62699370

IUPAC[4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
SMILESCC1CCC(CO)(NCc2ncccn2)CC1
InChIInChI=1S/C13H21N3O/c1-11-3-5-13(10-17,6-4-11)16-9-12-14-7-2-8-15-12/h2,7-8,11,16-17H,3-6,9-10H2,1H3
InChIKeyPZODGWOUFZCDLP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.51
Rot. Bonds4

About [4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol

[4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol (PubChem CID 62699370) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
PubChem CID62699370
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
SMILESCC1CCC(CO)(NCc2ncccn2)CC1
InChIInChI=1S/C13H21N3O/c1-11-3-5-13(10-17,6-4-11)16-9-12-14-7-2-8-15-12/h2,7-8,11,16-17H,3-6,9-10H2,1H3
InChIKeyPZODGWOUFZCDLP-UHFFFAOYSA-N
XLogP1.51
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699549
[4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol
CID 62526385
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
[1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553320
4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 65116294
[4-methyl-1-(1,3-thiazol-5-ylmethylamino)cyclohexyl]methanol
CID 62759472
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
[1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79984227
[4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol
CID 62552810
[1-(isoquinolin-4-ylmethylamino)-4-methylcyclohexyl]methanol
CID 115924504
[1-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol
CID 83089475
[4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol
CID 62525855

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol?
The IUPAC name of [4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol (CID 62699370) is [4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol?
The canonical SMILES for [4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol is CC1CCC(CO)(NCc2ncccn2)CC1.
What is the InChIKey of [4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol?
The InChIKey is PZODGWOUFZCDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-3-5-13(10-17,6-4-11)16-9-12-14-7-2-8-15-12/h2,7-8,11,16-17H,3-6,9-10H2,1H3.
What are the key properties of [4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol?
[4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol is sourced from PubChem (CID 62699370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).