4-N-cyclopropyl-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine

C21H22N4 — CID 112932942

IUPAC4-N-cyclopropyl-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
SMILESCc1ccccc1CNc1nc(NC2CC2)cc(-c2ccccc2)n1
InChIInChI=1S/C21H22N4/c1-15-7-5-6-10-17(15)14-22-21-24-19(16-8-3-2-4-9-16)13-20(25-21)23-18-11-12-18/h2-10,13,18H,11-12,14H2,1H3,(H2,22,23,24,25)
InChIKeyXMLALLWHDDVVEW-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.64
Rot. Bonds6

About 4-N-cyclopropyl-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine

4-N-cyclopropyl-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine (PubChem CID 112932942) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
PubChem CID112932942
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name4-N-cyclopropyl-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
SMILESCc1ccccc1CNc1nc(NC2CC2)cc(-c2ccccc2)n1
InChIInChI=1S/C21H22N4/c1-15-7-5-6-10-17(15)14-22-21-24-19(16-8-3-2-4-9-16)13-20(25-21)23-18-11-12-18/h2-10,13,18H,11-12,14H2,1H3,(H2,22,23,24,25)
InChIKeyXMLALLWHDDVVEW-UHFFFAOYSA-N
XLogP4.64
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112932921
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112936923
4-N-cyclopropyl-6-phenyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112932919
4-N-cyclopropyl-2-N-[3-(dimethylamino)propyl]-6-phenylpyrimidine-2,4-diamine
CID 112932935
2-N-[3-(dimethylamino)propyl]-4-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112936165
2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
CID 112932953
4-N-cyclopropyl-6-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112854696
4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937172
N-[(2-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936252
2-N-[2-(3-chlorophenyl)ethyl]-4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
CID 112932996
2-N-benzyl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915625
4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
CID 117081020

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine (CID 112932942) is 4-N-cyclopropyl-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine is Cc1ccccc1CNc1nc(NC2CC2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-N-cyclopropyl-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine?
The InChIKey is XMLALLWHDDVVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-15-7-5-6-10-17(15)14-22-21-24-19(16-8-3-2-4-9-16)13-20(25-21)23-18-11-12-18/h2-10,13,18H,11-12,14H2,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-cyclopropyl-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine has a molecular weight of 330.44 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N-[(2-methylphenyl)methyl]-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).