[1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol

C12H17Cl2N3O — CID 79633029

IUPAC[1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(Nc2nc(Cl)ncc2Cl)CC1
InChIInChI=1S/C12H17Cl2N3O/c1-8-2-4-12(7-18,5-3-8)17-10-9(13)6-15-11(14)16-10/h6,8,18H,2-5,7H2,1H3,(H,15,16,17)
InChIKeyJAHSUOVFJPWQAD-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.14
Rot. Bonds3

About [1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol

[1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol (PubChem CID 79633029) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is [1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
PubChem CID79633029
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name[1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(Nc2nc(Cl)ncc2Cl)CC1
InChIInChI=1S/C12H17Cl2N3O/c1-8-2-4-12(7-18,5-3-8)17-10-9(13)6-15-11(14)16-10/h6,8,18H,2-5,7H2,1H3,(H,15,16,17)
InChIKeyJAHSUOVFJPWQAD-UHFFFAOYSA-N
XLogP3.14
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol (CID 79633029) is [1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol is CC1CCC(CO)(Nc2nc(Cl)ncc2Cl)CC1.
What is the InChIKey of [1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol?
The InChIKey is JAHSUOVFJPWQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O/c1-8-2-4-12(7-18,5-3-8)17-10-9(13)6-15-11(14)16-10/h6,8,18H,2-5,7H2,1H3,(H,15,16,17).
What are the key properties of [1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol?
[1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol has a molecular weight of 290.19 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dichloropyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 79633029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).