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

C13H16N4 — CID 718645

IUPAC4-N,4-N,6-trimethyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)C)nc(Nc2ccccc2)n1
InChIInChI=1S/C13H16N4/c1-10-9-12(17(2)3)16-13(14-10)15-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,15,16)
InChIKeyBLSAOFXWZBPJER-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.59
Rot. Bonds3

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

4-N,4-N,6-trimethyl-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 718645) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-N,4-N,6-trimethyl-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N,6-trimethyl-2-N-phenylpyrimidine-2,4-diamine
PubChem CID718645
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-N,4-N,6-trimethyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)C)nc(Nc2ccccc2)n1
InChIInChI=1S/C13H16N4/c1-10-9-12(17(2)3)16-13(14-10)15-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,15,16)
InChIKeyBLSAOFXWZBPJER-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 4-N,4-N,6-trimethyl-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N,6-trimethyl-2-N-phenylpyrimidine-2,4-diamine (CID 718645) is 4-N,4-N,6-trimethyl-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N,6-trimethyl-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N,6-trimethyl-2-N-phenylpyrimidine-2,4-diamine is Cc1cc(N(C)C)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-N,4-N,6-trimethyl-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is BLSAOFXWZBPJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-9-12(17(2)3)16-13(14-10)15-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,15,16).
What are the key properties of 4-N,4-N,6-trimethyl-2-N-phenylpyrimidine-2,4-diamine?
4-N,4-N,6-trimethyl-2-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 4-N,4-N,6-trimethyl-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 718645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).