1-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol

C15H24ClN3O — CID 65121518

IUPAC1-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2ncnc(Cl)c2C(C)C)C1
InChIInChI=1S/C15H24ClN3O/c1-10(2)12-13(16)18-9-19-14(12)17-8-15(20)6-4-5-11(3)7-15/h9-11,20H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyJRXLZXDFVSQBTN-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.61
Rot. Bonds4

About 1-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol

1-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 65121518) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID65121518
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name1-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2ncnc(Cl)c2C(C)C)C1
InChIInChI=1S/C15H24ClN3O/c1-10(2)12-13(16)18-9-19-14(12)17-8-15(20)6-4-5-11(3)7-15/h9-11,20H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyJRXLZXDFVSQBTN-UHFFFAOYSA-N
XLogP3.61
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol with MolForge

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Related Compounds

4-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81130220
1-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-3-methylcyclohexan-1-ol
CID 63184263
1-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 80908970
1-[[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]methyl]-3-methylcyclohexan-1-ol
CID 102758689
3-methyl-1-[[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 78955390
3-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 65118811
2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 64911092
6-chloro-5-propan-2-yl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 80585875
1-[[(6-chloro-5-ethylpyrimidin-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65121660
6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine
CID 114101538
1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 63963822
3-methyl-1-[(2,3,4,5,6-pentafluoroanilino)methyl]cyclohexan-1-ol
CID 65118143

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol (CID 65121518) is 1-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNc2ncnc(Cl)c2C(C)C)C1.
What is the InChIKey of 1-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is JRXLZXDFVSQBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-10(2)12-13(16)18-9-19-14(12)17-8-15(20)6-4-5-11(3)7-15/h9-11,20H,4-8H2,1-3H3,(H,17,18,19).
What are the key properties of 1-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol?
1-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 297.83 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 65121518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).