N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine

C21H29N5O — CID 172901713

IUPACN-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1ccc(CN2CCC(Nc3ccnc(N4CCOCC4)n3)CC2)cc1
InChIInChI=1S/C21H29N5O/c1-17-2-4-18(5-3-17)16-25-10-7-19(8-11-25)23-20-6-9-22-21(24-20)26-12-14-27-15-13-26/h2-6,9,19H,7-8,10-16H2,1H3,(H,22,23,24)
InChIKeyUVNMAACXEABLNC-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.70
Rot. Bonds5

About N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine

N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 172901713) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID172901713
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCc1ccc(CN2CCC(Nc3ccnc(N4CCOCC4)n3)CC2)cc1
InChIInChI=1S/C21H29N5O/c1-17-2-4-18(5-3-17)16-25-10-7-19(8-11-25)23-20-6-9-22-21(24-20)26-12-14-27-15-13-26/h2-6,9,19H,7-8,10-16H2,1H3,(H,22,23,24)
InChIKeyUVNMAACXEABLNC-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-[(4-methylphenyl)methyl]piperidin-4-yl]-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

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901667
N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175648844
N-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175650328
N-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901047
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901044
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900055
2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 172899503
2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine
CID 112884158
N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900091
N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 117089157
N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172902467
N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172891609

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine (CID 172901713) is N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine is Cc1ccc(CN2CCC(Nc3ccnc(N4CCOCC4)n3)CC2)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is UVNMAACXEABLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-17-2-4-18(5-3-17)16-25-10-7-19(8-11-25)23-20-6-9-22-21(24-20)26-12-14-27-15-13-26/h2-6,9,19H,7-8,10-16H2,1H3,(H,22,23,24).
What are the key properties of N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-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-[(4-methylphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 172901713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).