5-(aminomethyl)-6-(3-methylphenyl)-2-phenylpyrimidin-4-amine

C18H18N4 — CID 10308325

IUPAC5-(aminomethyl)-6-(3-methylphenyl)-2-phenylpyrimidin-4-amine
SMILESCc1cccc(-c2nc(-c3ccccc3)nc(N)c2CN)c1
InChIInChI=1S/C18H18N4/c1-12-6-5-9-14(10-12)16-15(11-19)17(20)22-18(21-16)13-7-3-2-4-8-13/h2-10H,11,19H2,1H3,(H2,20,21,22)
InChIKeyCRKMNMMYHJHJHB-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.16
Rot. Bonds3

About 5-(aminomethyl)-6-(3-methylphenyl)-2-phenylpyrimidin-4-amine

5-(aminomethyl)-6-(3-methylphenyl)-2-phenylpyrimidin-4-amine (PubChem CID 10308325) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(3-methylphenyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-6-(3-methylphenyl)-2-phenylpyrimidin-4-amine
PubChem CID10308325
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name5-(aminomethyl)-6-(3-methylphenyl)-2-phenylpyrimidin-4-amine
SMILESCc1cccc(-c2nc(-c3ccccc3)nc(N)c2CN)c1
InChIInChI=1S/C18H18N4/c1-12-6-5-9-14(10-12)16-15(11-19)17(20)22-18(21-16)13-7-3-2-4-8-13/h2-10H,11,19H2,1H3,(H2,20,21,22)
InChIKeyCRKMNMMYHJHJHB-UHFFFAOYSA-N
XLogP3.16
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4,6-Diphenylpyrimidin-2-amine
CID 619024
4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine
CID 196968
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
N-(4,8-dimethylquinazolin-2-yl)guanidine
CID 2849032
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9974420
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methylphenyl)pyrimidin-4-amine
CID 10172375
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(3-methylphenyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-6-(3-methylphenyl)-2-phenylpyrimidin-4-amine (CID 10308325) is 5-(aminomethyl)-6-(3-methylphenyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-6-(3-methylphenyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-6-(3-methylphenyl)-2-phenylpyrimidin-4-amine is Cc1cccc(-c2nc(-c3ccccc3)nc(N)c2CN)c1.
What is the InChIKey of 5-(aminomethyl)-6-(3-methylphenyl)-2-phenylpyrimidin-4-amine?
The InChIKey is CRKMNMMYHJHJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-12-6-5-9-14(10-12)16-15(11-19)17(20)22-18(21-16)13-7-3-2-4-8-13/h2-10H,11,19H2,1H3,(H2,20,21,22).
What are the key properties of 5-(aminomethyl)-6-(3-methylphenyl)-2-phenylpyrimidin-4-amine?
5-(aminomethyl)-6-(3-methylphenyl)-2-phenylpyrimidin-4-amine has a molecular weight of 290.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(3-methylphenyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 10308325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).