2-N,4-N-dibenzyl-6-methylpyrimidine-2,4-diamine

C19H20N4 — CID 697225

IUPAC2-N,4-N-dibenzyl-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccc2)nc(NCc2ccccc2)n1
InChIInChI=1S/C19H20N4/c1-15-12-18(20-13-16-8-4-2-5-9-16)23-19(22-15)21-14-17-10-6-3-7-11-17/h2-12H,13-14H2,1H3,(H2,20,21,22,23)
InChIKeyOTEYDVXTQBPLOL-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.01
Rot. Bonds6

About 2-N,4-N-dibenzyl-6-methylpyrimidine-2,4-diamine

2-N,4-N-dibenzyl-6-methylpyrimidine-2,4-diamine (PubChem CID 697225) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-N,4-N-dibenzyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dibenzyl-6-methylpyrimidine-2,4-diamine
PubChem CID697225
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name2-N,4-N-dibenzyl-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccc2)nc(NCc2ccccc2)n1
InChIInChI=1S/C19H20N4/c1-15-12-18(20-13-16-8-4-2-5-9-16)23-19(22-15)21-14-17-10-6-3-7-11-17/h2-12H,13-14H2,1H3,(H2,20,21,22,23)
InChIKeyOTEYDVXTQBPLOL-UHFFFAOYSA-N
XLogP4.01
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibenzyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dibenzyl-6-methylpyrimidine-2,4-diamine (CID 697225) is 2-N,4-N-dibenzyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dibenzyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dibenzyl-6-methylpyrimidine-2,4-diamine is Cc1cc(NCc2ccccc2)nc(NCc2ccccc2)n1.
What is the InChIKey of 2-N,4-N-dibenzyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is OTEYDVXTQBPLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-15-12-18(20-13-16-8-4-2-5-9-16)23-19(22-15)21-14-17-10-6-3-7-11-17/h2-12H,13-14H2,1H3,(H2,20,21,22,23).
What are the key properties of 2-N,4-N-dibenzyl-6-methylpyrimidine-2,4-diamine?
2-N,4-N-dibenzyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 304.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibenzyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 697225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).