N-[(1-benzylpiperidin-4-yl)methyl]-4-naphthalen-2-ylpyrimidin-2-amine

C27H28N4 — CID 68730680

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-4-naphthalen-2-ylpyrimidin-2-amine
SMILESc1ccc(CN2CCC(CNc3nccc(-c4ccc5ccccc5c4)n3)CC2)cc1
InChIInChI=1S/C27H28N4/c1-2-6-22(7-3-1)20-31-16-13-21(14-17-31)19-29-27-28-15-12-26(30-27)25-11-10-23-8-4-5-9-24(23)18-25/h1-12,15,18,21H,13-14,16-17,19-20H2,(H,28,29,30)
InChIKeyPYXIYBPXGVXGSW-UHFFFAOYSA-N
MW408.55 g/mol
LogP5.62
Rot. Bonds6

About N-[(1-benzylpiperidin-4-yl)methyl]-4-naphthalen-2-ylpyrimidin-2-amine

N-[(1-benzylpiperidin-4-yl)methyl]-4-naphthalen-2-ylpyrimidin-2-amine (PubChem CID 68730680) has the molecular formula C27H28N4 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-4-naphthalen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-4-naphthalen-2-ylpyrimidin-2-amine
PubChem CID68730680
Molecular FormulaC27H28N4
Molecular Weight408.55 g/mol
Exact Mass408.23
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-4-naphthalen-2-ylpyrimidin-2-amine
SMILESc1ccc(CN2CCC(CNc3nccc(-c4ccc5ccccc5c4)n3)CC2)cc1
InChIInChI=1S/C27H28N4/c1-2-6-22(7-3-1)20-31-16-13-21(14-17-31)19-29-27-28-15-12-26(30-27)25-11-10-23-8-4-5-9-24(23)18-25/h1-12,15,18,21H,13-14,16-17,19-20H2,(H,28,29,30)
InChIKeyPYXIYBPXGVXGSW-UHFFFAOYSA-N
XLogP5.62
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-benzylpiperidin-4-yl)methyl]-4-naphthalen-2-ylpyrimidin-2-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-benzylpyrrolidin-3-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 45230985
tert-butyl (3S)-3-[[(4-naphthalen-2-ylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 91180125
4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]pyrimidin-2-amine
CID 133293203
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133277590
4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
CID 66493679
N-(1-benzylpiperidin-4-yl)-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine;4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 159397738
N-[(1-benzylpiperidin-4-yl)methyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine
CID 59867557
tert-butyl N-[3-[2-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamate
CID 53257822
(3S)-3-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
CID 68726312
[4-(4-naphthalen-2-ylpyrimidin-2-yl)oxycyclohexyl]methylcarbamic acid
CID 68727551
2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 69083843
[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methylcarbamic acid
CID 68730055

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-4-naphthalen-2-ylpyrimidin-2-amine?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-4-naphthalen-2-ylpyrimidin-2-amine (CID 68730680) is N-[(1-benzylpiperidin-4-yl)methyl]-4-naphthalen-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-4-naphthalen-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-4-naphthalen-2-ylpyrimidin-2-amine is c1ccc(CN2CCC(CNc3nccc(-c4ccc5ccccc5c4)n3)CC2)cc1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-4-naphthalen-2-ylpyrimidin-2-amine?
The InChIKey is PYXIYBPXGVXGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4/c1-2-6-22(7-3-1)20-31-16-13-21(14-17-31)19-29-27-28-15-12-26(30-27)25-11-10-23-8-4-5-9-24(23)18-25/h1-12,15,18,21H,13-14,16-17,19-20H2,(H,28,29,30).
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-4-naphthalen-2-ylpyrimidin-2-amine?
N-[(1-benzylpiperidin-4-yl)methyl]-4-naphthalen-2-ylpyrimidin-2-amine has a molecular weight of 408.55 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-4-naphthalen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 68730680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).