2-N-benzyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine

C15H20N4 — CID 46226009

IUPAC2-N-benzyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(NC(C)C)nc(NCc2ccccc2)n1
InChIInChI=1S/C15H20N4/c1-11(2)17-14-9-12(3)18-15(19-14)16-10-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyLXWUBNDZCISPMV-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.22
Rot. Bonds5

About 2-N-benzyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine

2-N-benzyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 46226009) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-N-benzyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID46226009
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-N-benzyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(NC(C)C)nc(NCc2ccccc2)n1
InChIInChI=1S/C15H20N4/c1-11(2)17-14-9-12(3)18-15(19-14)16-10-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyLXWUBNDZCISPMV-UHFFFAOYSA-N
XLogP3.22
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 46226009) is 2-N-benzyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine is Cc1cc(NC(C)C)nc(NCc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is LXWUBNDZCISPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11(2)17-14-9-12(3)18-15(19-14)16-10-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-N-benzyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
2-N-benzyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 46226009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).