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

C20H34N4O — CID 72914509

IUPAC1-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCCCc1cc(N2CCC(NCC3(O)CCCCC3)CC2)nc(C)n1
InChIInChI=1S/C20H34N4O/c1-3-7-18-14-19(23-16(2)22-18)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
InChIKeyHEHWHMNEASSZNP-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.99
Rot. Bonds6

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

1-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 72914509) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
PubChem CID72914509
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name1-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCCCc1cc(N2CCC(NCC3(O)CCCCC3)CC2)nc(C)n1
InChIInChI=1S/C20H34N4O/c1-3-7-18-14-19(23-16(2)22-18)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
InChIKeyHEHWHMNEASSZNP-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-methyl-6-piperidin-4-yl-N-propylpyrimidin-4-amine
CID 56722629
trans-4-{[1-(2-Methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino}cyclohexanol
CID 72849212
1-Methyl-4-({[1-(2-methyl-6-propylpyrimidin-4-YL)piperidin-4-YL]amino}methyl)piperidin-4-OL
CID 72874533
1-(2-methyl-6-propylpyrimidin-4-yl)-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine
CID 72911423
N-cyclohexyl-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 110271273
2-[Ethyl-[2-(octylamino)-6-propyl-pyrimidin-4-yl]amino]ethanol
CID 5276784
2-[[6-Tert-butyl-2-(octylamino)pyrimidin-4-yl]-ethyl-amino]ethanol
CID 5276812
3-{[4-(6-Ethylpyrimidin-4-YL)piperazin-1-YL]methyl}piperidin-3-OL
CID 70729852
N-(2-Isopropoxyethyl)-1-(2-methyl-6-propylpyrimidin-4-YL)piperidin-4-amine
CID 72854593
6-(cis-3-aminocyclobutyl)-2-(methoxymethyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 91761352
1-(2-{[6-(3-Hydroxycyclobutyl)-2-methylpyrimidin-4-YL]amino}ethyl)piperidin-4-OL
CID 91762966
N-ethyl-2-methyl-6-piperidin-4-yl-N-(tetrahydro-2H-pyran-4-ylmethyl)pyrimidin-4-amine
CID 56704383

Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol (CID 72914509) is 1-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol is CCCc1cc(N2CCC(NCC3(O)CCCCC3)CC2)nc(C)n1.
What is the InChIKey of 1-[[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is HEHWHMNEASSZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-3-7-18-14-19(23-16(2)22-18)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-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol?
1-[[[1-(2-methyl-6-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-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 72914509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).