2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine

C19H20N4 — CID 112891014

IUPAC2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCN(Cc1ccccc1)c1nccc(N(C)c2ccccc2)n1
InChIInChI=1S/C19H20N4/c1-22(15-16-9-5-3-6-10-16)19-20-14-13-18(21-19)23(2)17-11-7-4-8-12-17/h3-14H,15H2,1-2H3
InChIKeyPVILMMXPLKCNTJ-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.88
Rot. Bonds5

About 2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine

2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112891014) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112891014
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCN(Cc1ccccc1)c1nccc(N(C)c2ccccc2)n1
InChIInChI=1S/C19H20N4/c1-22(15-16-9-5-3-6-10-16)19-20-14-13-18(21-19)23(2)17-11-7-4-8-12-17/h3-14H,15H2,1-2H3
InChIKeyPVILMMXPLKCNTJ-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine (CID 112891014) is 2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine is CN(Cc1ccccc1)c1nccc(N(C)c2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is PVILMMXPLKCNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-22(15-16-9-5-3-6-10-16)19-20-14-13-18(21-19)23(2)17-11-7-4-8-12-17/h3-14H,15H2,1-2H3.
What are the key properties of 2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine?
2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 304.40 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112891014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).