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

C12H14N4 — CID 112559773

IUPAC4-N-ethyl-2-phenylpyrimidine-4,6-diamine
SMILESCCNc1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C12H14N4/c1-2-14-11-8-10(13)15-12(16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H3,13,14,15,16)
InChIKeyXYFDIMJKCLFLEP-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.16
Rot. Bonds3

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

4-N-ethyl-2-phenylpyrimidine-4,6-diamine (PubChem CID 112559773) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-N-ethyl-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-phenylpyrimidine-4,6-diamine
PubChem CID112559773
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name4-N-ethyl-2-phenylpyrimidine-4,6-diamine
SMILESCCNc1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C12H14N4/c1-2-14-11-8-10(13)15-12(16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H3,13,14,15,16)
InChIKeyXYFDIMJKCLFLEP-UHFFFAOYSA-N
XLogP2.16
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-methylpentan-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 106332100
N-ethyl-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 62191461
4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 115915739
6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 115915258
6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine
CID 115915170
4-N-(furan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915230
3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179314
5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163239
4-N-(oxan-4-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915604
2-[(6-amino-2-phenylpyrimidin-4-yl)amino]propane-1,3-diol
CID 112559838
2-phenyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 115915460
N-ethyl-2-phenyl-6-pyrazin-2-ylpyrimidin-4-amine
CID 115915110

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-2-phenylpyrimidine-4,6-diamine (CID 112559773) is 4-N-ethyl-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-2-phenylpyrimidine-4,6-diamine is CCNc1cc(N)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-ethyl-2-phenylpyrimidine-4,6-diamine?
The InChIKey is XYFDIMJKCLFLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-14-11-8-10(13)15-12(16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H3,13,14,15,16).
What are the key properties of 4-N-ethyl-2-phenylpyrimidine-4,6-diamine?
4-N-ethyl-2-phenylpyrimidine-4,6-diamine has a molecular weight of 214.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112559773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).