N-[(3-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline

C18H21N3 — CID 143153215

IUPACN-[(3-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
SMILESCc1cccc(CNc2ccccc2C2=NCCCN2)c1
InChIInChI=1S/C18H21N3/c1-14-6-4-7-15(12-14)13-21-17-9-3-2-8-16(17)18-19-10-5-11-20-18/h2-4,6-9,12,21H,5,10-11,13H2,1H3,(H,19,20)
InChIKeyCFJKUPZADZHPRV-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.35
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline

N-[(3-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline (PubChem CID 143153215) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
PubChem CID143153215
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[(3-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
SMILESCc1cccc(CNc2ccccc2C2=NCCCN2)c1
InChIInChI=1S/C18H21N3/c1-14-6-4-7-15(12-14)13-21-17-9-3-2-8-16(17)18-19-10-5-11-20-18/h2-4,6-9,12,21H,5,10-11,13H2,1H3,(H,19,20)
InChIKeyCFJKUPZADZHPRV-UHFFFAOYSA-N
XLogP3.35
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]propanoic acid
CID 82244461
N-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110917745
2-[2-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82242953
N-[(3-methylphenyl)methyl]naphthalen-1-amine
CID 23820233
N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705696
N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]butane-1-sulfonamide
CID 82251562
5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol
CID 137209925
2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline
CID 43435902
2-chloro-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 43689842
2-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylaniline
CID 82241350
N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline
CID 43739167
N-[(3-methylphenyl)methyl]-2-propylaniline
CID 43432338

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline (CID 143153215) is N-[(3-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline is Cc1cccc(CNc2ccccc2C2=NCCCN2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline?
The InChIKey is CFJKUPZADZHPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-14-6-4-7-15(12-14)13-21-17-9-3-2-8-16(17)18-19-10-5-11-20-18/h2-4,6-9,12,21H,5,10-11,13H2,1H3,(H,19,20).
What are the key properties of N-[(3-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline?
N-[(3-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline has a molecular weight of 279.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline is sourced from PubChem (CID 143153215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).