N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine

C21H29N5O — CID 117089157

IUPACN-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cnc(N2CCOCC2)nc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H29N5O/c1-17-15-22-21(26-11-13-27-14-12-26)24-20(17)23-19-7-9-25(10-8-19)16-18-5-3-2-4-6-18/h2-6,15,19H,7-14,16H2,1H3,(H,22,23,24)
InChIKeyOSKRSEKGYOKPPU-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.70
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine

N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 117089157) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID117089157
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cnc(N2CCOCC2)nc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H29N5O/c1-17-15-22-21(26-11-13-27-14-12-26)24-20(17)23-19-7-9-25(10-8-19)16-18-5-3-2-4-6-18/h2-6,15,19H,7-14,16H2,1H3,(H,22,23,24)
InChIKeyOSKRSEKGYOKPPU-UHFFFAOYSA-N
XLogP2.70
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine 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

4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol
CID 117089717
1-[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide
CID 117090657
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901713
N-cyclopropyl-5-ethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 69447709
4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 117085878
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901667
N-(1-benzylpyrrolidin-3-yl)-3-methylpyridin-2-amine
CID 130165925
N-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
CID 155533577
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
CID 2972912
N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 71570992
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine
CID 67198237

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 117089157) is N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine is Cc1cnc(N2CCOCC2)nc1NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is OSKRSEKGYOKPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-17-15-22-21(26-11-13-27-14-12-26)24-20(17)23-19-7-9-25(10-8-19)16-18-5-3-2-4-6-18/h2-6,15,19H,7-14,16H2,1H3,(H,22,23,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine?
N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 367.50 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 117089157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).