5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine

C14H18N4 — CID 80761572

IUPAC5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine
SMILESCCc1ccccc1Nc1ncnc(N)c1CC
InChIInChI=1S/C14H18N4/c1-3-10-7-5-6-8-12(10)18-14-11(4-2)13(15)16-9-17-14/h5-9H,3-4H2,1-2H3,(H3,15,16,17,18)
InChIKeyFBPBGUZZYFEWSP-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.93
Rot. Bonds4

About 5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine

5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine (PubChem CID 80761572) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine
PubChem CID80761572
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine
SMILESCCc1ccccc1Nc1ncnc(N)c1CC
InChIInChI=1S/C14H18N4/c1-3-10-7-5-6-8-12(10)18-14-11(4-2)13(15)16-9-17-14/h5-9H,3-4H2,1-2H3,(H3,15,16,17,18)
InChIKeyFBPBGUZZYFEWSP-UHFFFAOYSA-N
XLogP2.93
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544045
5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80760868
4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80835155
4-N-(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 2959709
4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 22544115
3-N-(2-ethylphenyl)pyrazine-2,3-diamine
CID 102985203
6-N-butyl-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544033
4-N-cyclopentyl-6-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544200
4-N,6-N-bis(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23482571
4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80761337
4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine
CID 80761295
6-N-(1,3-benzodioxol-5-yl)-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22542025

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine (CID 80761572) is 5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine is CCc1ccccc1Nc1ncnc(N)c1CC.
What is the InChIKey of 5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine?
The InChIKey is FBPBGUZZYFEWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-10-7-5-6-8-12(10)18-14-11(4-2)13(15)16-9-17-14/h5-9H,3-4H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine?
5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80761572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).