4-N-benzyl-6-methoxypyrimidine-2,4-diamine

C12H14N4O — CID 14257428

IUPAC4-N-benzyl-6-methoxypyrimidine-2,4-diamine
SMILESCOc1cc(NCc2ccccc2)nc(N)n1
InChIInChI=1S/C12H14N4O/c1-17-11-7-10(15-12(13)16-11)14-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H3,13,14,15,16)
InChIKeyGBYRZXQPQRGVRM-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.68
Rot. Bonds4

About 4-N-benzyl-6-methoxypyrimidine-2,4-diamine

4-N-benzyl-6-methoxypyrimidine-2,4-diamine (PubChem CID 14257428) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-N-benzyl-6-methoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-methoxypyrimidine-2,4-diamine
PubChem CID14257428
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-N-benzyl-6-methoxypyrimidine-2,4-diamine
SMILESCOc1cc(NCc2ccccc2)nc(N)n1
InChIInChI=1S/C12H14N4O/c1-17-11-7-10(15-12(13)16-11)14-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H3,13,14,15,16)
InChIKeyGBYRZXQPQRGVRM-UHFFFAOYSA-N
XLogP1.68
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-methoxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-6-methoxypyrimidine-2,4-diamine (CID 14257428) is 4-N-benzyl-6-methoxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-6-methoxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-6-methoxypyrimidine-2,4-diamine is COc1cc(NCc2ccccc2)nc(N)n1.
What is the InChIKey of 4-N-benzyl-6-methoxypyrimidine-2,4-diamine?
The InChIKey is GBYRZXQPQRGVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-17-11-7-10(15-12(13)16-11)14-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H3,13,14,15,16).
What are the key properties of 4-N-benzyl-6-methoxypyrimidine-2,4-diamine?
4-N-benzyl-6-methoxypyrimidine-2,4-diamine has a molecular weight of 230.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-methoxypyrimidine-2,4-diamine is sourced from PubChem (CID 14257428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).