Diamino-5-phenyl-6-ethylpyrimidine, 2,4-

C12H14N4 — CID 93114

IUPAC6-ethyl-5-phenylpyrimidine-2,4-diamine
SMILESCCC1=C(C(=NC(=N1)N)N)C2=CC=CC=C2
InChIInChI=1S/C12H14N4/c1-2-9-10(8-6-4-3-5-7-8)11(13)16-12(14)15-9/h3-7H,2H2,1H3,(H4,13,14,15,16)
InChIKeyXREDUPOVEQDQQS-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.10
Rot. Bonds2

About Diamino-5-phenyl-6-ethylpyrimidine, 2,4-

Diamino-5-phenyl-6-ethylpyrimidine, 2,4- (PubChem CID 93114) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 6-ethyl-5-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound NameDiamino-5-phenyl-6-ethylpyrimidine, 2,4-
PubChem CID93114
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name6-ethyl-5-phenylpyrimidine-2,4-diamine
SMILESCCC1=C(C(=NC(=N1)N)N)C2=CC=CC=C2
InChIInChI=1S/C12H14N4/c1-2-9-10(8-6-4-3-5-7-8)11(13)16-12(14)15-9/h3-7H,2H2,1H3,(H4,13,14,15,16)
InChIKeyXREDUPOVEQDQQS-UHFFFAOYSA-N
XLogP2.10
TPSA77.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity215

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimethamine
CID 4993
Pyrimethanil
CID 91650
Cyprodinil
CID 86367
Metoprine
CID 24466
Etoprine
CID 29142
4,6-Diphenylpyrimidin-2-amine
CID 619024
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
2-Amino-4-phenylpyrimidine
CID 598777
5-Phenyl-2,4-pyrimidinediamine
CID 134761
2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
2-Chloro-4,6-diphenylpyrimidine
CID 1804739

Frequently Asked Questions

What is the IUPAC name of Diamino-5-phenyl-6-ethylpyrimidine, 2,4-?
The IUPAC name of Diamino-5-phenyl-6-ethylpyrimidine, 2,4- (CID 93114) is 6-ethyl-5-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for Diamino-5-phenyl-6-ethylpyrimidine, 2,4-?
The canonical SMILES for Diamino-5-phenyl-6-ethylpyrimidine, 2,4- is CCC1=C(C(=NC(=N1)N)N)C2=CC=CC=C2.
What is the InChIKey of Diamino-5-phenyl-6-ethylpyrimidine, 2,4-?
The InChIKey is XREDUPOVEQDQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-9-10(8-6-4-3-5-7-8)11(13)16-12(14)15-9/h3-7H,2H2,1H3,(H4,13,14,15,16).
What are the key properties of Diamino-5-phenyl-6-ethylpyrimidine, 2,4-?
Diamino-5-phenyl-6-ethylpyrimidine, 2,4- has a molecular weight of 214.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Diamino-5-phenyl-6-ethylpyrimidine, 2,4- is sourced from PubChem (CID 93114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).