4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine

C14H18N4 — CID 55045579

IUPAC4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine
SMILESCCNc1cc(-c2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C14H18N4/c1-4-15-13-10-12(11-8-6-5-7-9-11)16-14(17-13)18(2)3/h5-10H,4H2,1-3H3,(H,15,16,17)
InChIKeyKJDZZRGPNPZUQL-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.64
Rot. Bonds4

About 4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine

4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine (PubChem CID 55045579) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine
PubChem CID55045579
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine
SMILESCCNc1cc(-c2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C14H18N4/c1-4-15-13-10-12(11-8-6-5-7-9-11)16-14(17-13)18(2)3/h5-10H,4H2,1-3H3,(H,15,16,17)
InChIKeyKJDZZRGPNPZUQL-UHFFFAOYSA-N
XLogP2.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine (CID 55045579) is 4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine is CCNc1cc(-c2ccccc2)nc(N(C)C)n1.
What is the InChIKey of 4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine?
The InChIKey is KJDZZRGPNPZUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-4-15-13-10-12(11-8-6-5-7-9-11)16-14(17-13)18(2)3/h5-10H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine?
4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N,2-N-dimethyl-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 55045579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).