2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine

C16H16N4 — CID 127049344

IUPAC2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine
SMILESCc1cccc(CNc2nc(N)c3ccccc3n2)c1
InChIInChI=1S/C16H16N4/c1-11-5-4-6-12(9-11)10-18-16-19-14-8-3-2-7-13(14)15(17)20-16/h2-9H,10H2,1H3,(H3,17,18,19,20)
InChIKeyYRMDSZIDGQJOIX-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.13
Rot. Bonds3

About 2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine

2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine (PubChem CID 127049344) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine
PubChem CID127049344
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine
SMILESCc1cccc(CNc2nc(N)c3ccccc3n2)c1
InChIInChI=1S/C16H16N4/c1-11-5-4-6-12(9-11)10-18-16-19-14-8-3-2-7-13(14)15(17)20-16/h2-9H,10H2,1H3,(H3,17,18,19,20)
InChIKeyYRMDSZIDGQJOIX-UHFFFAOYSA-N
XLogP3.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylphenyl)methyl]naphthalen-1-amine
CID 23820233
2-N-benzyl-4-N-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
CID 3681577
3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756384
2-methyl-4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871781
2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80790129
ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen
CID 168878317
6-N-ethyl-2-N,2-N-dimethyl-4-N-[(3-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80773733
4-N-[2-(dimethylamino)ethyl]-2-N-[(3-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112935791
N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine
CID 80903388
2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 80791291
4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine
CID 138683087
6-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916211

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine (CID 127049344) is 2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine is Cc1cccc(CNc2nc(N)c3ccccc3n2)c1.
What is the InChIKey of 2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine?
The InChIKey is YRMDSZIDGQJOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-5-4-6-12(9-11)10-18-16-19-14-8-3-2-7-13(14)15(17)20-16/h2-9H,10H2,1H3,(H3,17,18,19,20).
What are the key properties of 2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine?
2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine has a molecular weight of 264.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-methylphenyl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 127049344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).