[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

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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).