4-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol

C19H32N4O — CID 72849212

IUPAC4-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCc1cc(N2CCC(NC3CCC(O)CC3)CC2)nc(C)n1
InChIInChI=1S/C19H32N4O/c1-3-4-17-13-19(21-14(2)20-17)23-11-9-16(10-12-23)22-15-5-7-18(24)8-6-15/h13,15-16,18,22,24H,3-12H2,1-2H3
InChIKeyIEBZIMKFKSMTJI-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.60
Rot. Bonds5

About 4-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol

4-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 72849212) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 4-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol
PubChem CID72849212
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name4-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCc1cc(N2CCC(NC3CCC(O)CC3)CC2)nc(C)n1
InChIInChI=1S/C19H32N4O/c1-3-4-17-13-19(21-14(2)20-17)23-11-9-16(10-12-23)22-15-5-7-18(24)8-6-15/h13,15-16,18,22,24H,3-12H2,1-2H3
InChIKeyIEBZIMKFKSMTJI-UHFFFAOYSA-N
XLogP2.60
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol (CID 72849212) is 4-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol is CCCc1cc(N2CCC(NC3CCC(O)CC3)CC2)nc(C)n1.
What is the InChIKey of 4-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is IEBZIMKFKSMTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-3-4-17-13-19(21-14(2)20-17)23-11-9-16(10-12-23)22-15-5-7-18(24)8-6-15/h13,15-16,18,22,24H,3-12H2,1-2H3.
What are the key properties of 4-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol?
4-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 332.49 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 72849212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).