[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol

C15H22ClN3O — CID 80951495

IUPAC[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(Nc2cc(Cl)nc(C3CC3)n2)CC1
InChIInChI=1S/C15H22ClN3O/c1-10-4-6-15(9-20,7-5-10)19-13-8-12(16)17-14(18-13)11-2-3-11/h8,10-11,20H,2-7,9H2,1H3,(H,17,18,19)
InChIKeyGLMBZYICNFJENR-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.36
Rot. Bonds4

About [1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol

[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol (PubChem CID 80951495) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is [1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
PubChem CID80951495
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(Nc2cc(Cl)nc(C3CC3)n2)CC1
InChIInChI=1S/C15H22ClN3O/c1-10-4-6-15(9-20,7-5-10)19-13-8-12(16)17-14(18-13)11-2-3-11/h8,10-11,20H,2-7,9H2,1H3,(H,17,18,19)
InChIKeyGLMBZYICNFJENR-UHFFFAOYSA-N
XLogP3.36
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol with MolForge

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Related Compounds

[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 80950899
[1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
CID 114562559
[1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol
CID 80958535
6-chloro-2-cyclopropyl-N-(1-methylcyclobutyl)pyrimidin-4-amine
CID 115875734
[1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 80957977
[1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
CID 80940619
[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300524
[4-methyl-1-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 62525504
[1-[(3-amino-6-chloro-2-pyridinyl)amino]-4-methylcyclohexyl]methanol
CID 115474089
[1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
CID 80803602
methyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate
CID 66285460
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009409

Frequently Asked Questions

What is the IUPAC name of [1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol (CID 80951495) is [1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol is CC1CCC(CO)(Nc2cc(Cl)nc(C3CC3)n2)CC1.
What is the InChIKey of [1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol?
The InChIKey is GLMBZYICNFJENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-10-4-6-15(9-20,7-5-10)19-13-8-12(16)17-14(18-13)11-2-3-11/h8,10-11,20H,2-7,9H2,1H3,(H,17,18,19).
What are the key properties of [1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol?
[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol has a molecular weight of 295.81 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 80951495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).