1-(3-methylphenyl)-N-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]methanamine

C20H21N3 — CID 130373377

IUPAC1-(3-methylphenyl)-N-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]methanamine
SMILESCc1ccc(-c2cnc(CNCc3cccc(C)c3)nc2)cc1
InChIInChI=1S/C20H21N3/c1-15-6-8-18(9-7-15)19-12-22-20(23-13-19)14-21-11-17-5-3-4-16(2)10-17/h3-10,12-13,21H,11,14H2,1-2H3
InChIKeyLSNPDRVLEBCBOU-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.05
Rot. Bonds5

About 1-(3-methylphenyl)-N-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]methanamine

1-(3-methylphenyl)-N-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]methanamine (PubChem CID 130373377) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]methanamine
PubChem CID130373377
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name1-(3-methylphenyl)-N-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]methanamine
SMILESCc1ccc(-c2cnc(CNCc3cccc(C)c3)nc2)cc1
InChIInChI=1S/C20H21N3/c1-15-6-8-18(9-7-15)19-12-22-20(23-13-19)14-21-11-17-5-3-4-16(2)10-17/h3-10,12-13,21H,11,14H2,1-2H3
InChIKeyLSNPDRVLEBCBOU-UHFFFAOYSA-N
XLogP4.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80708063
N-(1H-imidazol-5-ylmethyl)-1-(3-methylphenyl)methanamine
CID 62762804
2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
CID 62756426
N-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine
CID 46344501
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine
CID 104796752
1-[4-(chloromethyl)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 107233003
1-(2-chloro-4-methylphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 106862383
N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine
CID 62757123
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
CID 171059943
2,6-dimethyl-4-[[(3-methylphenyl)methylamino]methyl]phenol
CID 28889201

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]methanamine?
The IUPAC name of 1-(3-methylphenyl)-N-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]methanamine (CID 130373377) is 1-(3-methylphenyl)-N-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(3-methylphenyl)-N-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]methanamine?
The canonical SMILES for 1-(3-methylphenyl)-N-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]methanamine is Cc1ccc(-c2cnc(CNCc3cccc(C)c3)nc2)cc1.
What is the InChIKey of 1-(3-methylphenyl)-N-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]methanamine?
The InChIKey is LSNPDRVLEBCBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-15-6-8-18(9-7-15)19-12-22-20(23-13-19)14-21-11-17-5-3-4-16(2)10-17/h3-10,12-13,21H,11,14H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-N-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]methanamine?
1-(3-methylphenyl)-N-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]methanamine has a molecular weight of 303.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[[5-(4-methylphenyl)pyrimidin-2-yl]methyl]methanamine is sourced from PubChem (CID 130373377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).