2-N,2-N-diethyl-4-N-phenylpyrimidine-2,4,6-triamine

C14H19N5 — CID 86235846

IUPAC2-N,2-N-diethyl-4-N-phenylpyrimidine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)cc(Nc2ccccc2)n1
InChIInChI=1S/C14H19N5/c1-3-19(4-2)14-17-12(15)10-13(18-14)16-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H3,15,16,17,18)
InChIKeyLRQGGHACHWIIOY-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.65
Rot. Bonds5

About 2-N,2-N-diethyl-4-N-phenylpyrimidine-2,4,6-triamine

2-N,2-N-diethyl-4-N-phenylpyrimidine-2,4,6-triamine (PubChem CID 86235846) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-phenylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-phenylpyrimidine-2,4,6-triamine
PubChem CID86235846
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-N,2-N-diethyl-4-N-phenylpyrimidine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)cc(Nc2ccccc2)n1
InChIInChI=1S/C14H19N5/c1-3-19(4-2)14-17-12(15)10-13(18-14)16-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H3,15,16,17,18)
InChIKeyLRQGGHACHWIIOY-UHFFFAOYSA-N
XLogP2.65
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-phenylpyrimidine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-phenylpyrimidine-2,4,6-triamine (CID 86235846) is 2-N,2-N-diethyl-4-N-phenylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-phenylpyrimidine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-phenylpyrimidine-2,4,6-triamine is CCN(CC)c1nc(N)cc(Nc2ccccc2)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-phenylpyrimidine-2,4,6-triamine?
The InChIKey is LRQGGHACHWIIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-3-19(4-2)14-17-12(15)10-13(18-14)16-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 2-N,2-N-diethyl-4-N-phenylpyrimidine-2,4,6-triamine?
2-N,2-N-diethyl-4-N-phenylpyrimidine-2,4,6-triamine has a molecular weight of 257.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-phenylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 86235846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).