2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine

C13H16N4 — CID 19754221

IUPAC2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(N(C)c2ccccc2)n1
InChIInChI=1S/C13H16N4/c1-10-9-12(16-13(14-2)15-10)17(3)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,15,16)
InChIKeyCOTRQOFGHXVSRB-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.59
Rot. Bonds3

About 2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine

2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 19754221) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID19754221
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(N(C)c2ccccc2)n1
InChIInChI=1S/C13H16N4/c1-10-9-12(16-13(14-2)15-10)17(3)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,15,16)
InChIKeyCOTRQOFGHXVSRB-UHFFFAOYSA-N
XLogP2.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine (CID 19754221) is 2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine is CNc1nc(C)cc(N(C)c2ccccc2)n1.
What is the InChIKey of 2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is COTRQOFGHXVSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-9-12(16-13(14-2)15-10)17(3)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,15,16).
What are the key properties of 2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine?
2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 19754221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).