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

C20H34N4O — CID 72857573

IUPAC1-[[[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCCCc1nc(C)cc(N2CCC(NCC3(O)CCCCC3)CC2)n1
InChIInChI=1S/C20H34N4O/c1-3-7-18-22-16(2)14-19(23-18)24-12-8-17(9-13-24)21-15-20(25)10-5-4-6-11-20/h14,17,21,25H,3-13,15H2,1-2H3
InChIKeyZDRCTKPPDBLEHH-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.99
Rot. Bonds6

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

1-[[[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 72857573) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-[[[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
PubChem CID72857573
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name1-[[[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCCCc1nc(C)cc(N2CCC(NCC3(O)CCCCC3)CC2)n1
InChIInChI=1S/C20H34N4O/c1-3-7-18-22-16(2)14-19(23-18)24-12-8-17(9-13-24)21-15-20(25)10-5-4-6-11-20/h14,17,21,25H,3-13,15H2,1-2H3
InChIKeyZDRCTKPPDBLEHH-UHFFFAOYSA-N
XLogP2.99
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol (CID 72857573) is 1-[[[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol is CCCc1nc(C)cc(N2CCC(NCC3(O)CCCCC3)CC2)n1.
What is the InChIKey of 1-[[[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is ZDRCTKPPDBLEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-3-7-18-22-16(2)14-19(23-18)24-12-8-17(9-13-24)21-15-20(25)10-5-4-6-11-20/h14,17,21,25H,3-13,15H2,1-2H3.
What are the key properties of 1-[[[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol?
1-[[[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 346.52 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(6-methyl-2-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 72857573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).