2-N-[4-(dimethylamino)phenyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine

C21H25N5 — CID 112916169

IUPAC2-N-[4-(dimethylamino)phenyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cccc(CNc2cc(C)nc(Nc3ccc(N(C)C)cc3)n2)c1
InChIInChI=1S/C21H25N5/c1-15-6-5-7-17(12-15)14-22-20-13-16(2)23-21(25-20)24-18-8-10-19(11-9-18)26(3)4/h5-13H,14H2,1-4H3,(H2,22,23,24,25)
InChIKeyBQJFEGOPUYJRDG-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.52
Rot. Bonds6

About 2-N-[4-(dimethylamino)phenyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine

2-N-[4-(dimethylamino)phenyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112916169) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-N-[4-(dimethylamino)phenyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(dimethylamino)phenyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112916169
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name2-N-[4-(dimethylamino)phenyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cccc(CNc2cc(C)nc(Nc3ccc(N(C)C)cc3)n2)c1
InChIInChI=1S/C21H25N5/c1-15-6-5-7-17(12-15)14-22-20-13-16(2)23-21(25-20)24-18-8-10-19(11-9-18)26(3)4/h5-13H,14H2,1-4H3,(H2,22,23,24,25)
InChIKeyBQJFEGOPUYJRDG-UHFFFAOYSA-N
XLogP4.52
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-methyl-4-N-[(3-methylphenyl)methyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112916171
2-N,4-N-bis[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112931685
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112912951
4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 5276763
2-N-[4-(dimethylamino)phenyl]-4-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921183
2-N-tert-butyl-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916103
6-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916211
2-N-[4-(diethylamino)phenyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919519
2-N-(4-methylphenyl)-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890029
4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112929719
4-N-[4-(dimethylamino)phenyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80788974
2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112918854

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(dimethylamino)phenyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-(dimethylamino)phenyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 112916169) is 2-N-[4-(dimethylamino)phenyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(dimethylamino)phenyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-(dimethylamino)phenyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine is Cc1cccc(CNc2cc(C)nc(Nc3ccc(N(C)C)cc3)n2)c1.
What is the InChIKey of 2-N-[4-(dimethylamino)phenyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is BQJFEGOPUYJRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-15-6-5-7-17(12-15)14-22-20-13-16(2)23-21(25-20)24-18-8-10-19(11-9-18)26(3)4/h5-13H,14H2,1-4H3,(H2,22,23,24,25).
What are the key properties of 2-N-[4-(dimethylamino)phenyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine?
2-N-[4-(dimethylamino)phenyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 347.47 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(dimethylamino)phenyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112916169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).