4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol

C23H33N5O — CID 117089717

IUPAC4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCc1cnc(NC2CCC(O)CC2)nc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H33N5O/c1-17-15-24-23(26-19-7-9-21(29)10-8-19)27-22(17)25-20-11-13-28(14-12-20)16-18-5-3-2-4-6-18/h2-6,15,19-21,29H,7-14,16H2,1H3,(H2,24,25,26,27)
InChIKeyHEPXERJXSPVWKX-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.58
Rot. Bonds6

About 4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 117089717) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID117089717
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCc1cnc(NC2CCC(O)CC2)nc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H33N5O/c1-17-15-24-23(26-19-7-9-21(29)10-8-19)27-22(17)25-20-11-13-28(14-12-20)16-18-5-3-2-4-6-18/h2-6,15,19-21,29H,7-14,16H2,1H3,(H2,24,25,26,27)
InChIKeyHEPXERJXSPVWKX-UHFFFAOYSA-N
XLogP3.58
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-N-(1-benzylpiperidin-4-yl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 113258960
N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 117089157
N-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 167810243
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
CID 97203878
N-(1-benzylpyrrolidin-3-yl)-3-methylpyridin-2-amine
CID 130165925
1-[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide
CID 117090657
1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone
CID 123184963
2-chloro-N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyrimidin-4-amine
CID 86618536
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378
6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine
CID 114074043

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol (CID 117089717) is 4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol is Cc1cnc(NC2CCC(O)CC2)nc1NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is HEPXERJXSPVWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-17-15-24-23(26-19-7-9-21(29)10-8-19)27-22(17)25-20-11-13-28(14-12-20)16-18-5-3-2-4-6-18/h2-6,15,19-21,29H,7-14,16H2,1H3,(H2,24,25,26,27).
What are the key properties of 4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 395.55 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 117089717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).