6-ethyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-diamine

C14H15N7 — CID 126722663

IUPAC6-ethyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1cn(-c2ccccc2)nn1
InChIInChI=1S/C14H15N7/c1-2-10-12(13(15)18-14(16)17-10)11-8-21(20-19-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H4,15,16,17,18)
InChIKeySOTGGOFTJUBRMN-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.45
Rot. Bonds3

About 6-ethyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-diamine

6-ethyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 126722663) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-ethyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-diamine
PubChem CID126722663
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name6-ethyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1cn(-c2ccccc2)nn1
InChIInChI=1S/C14H15N7/c1-2-10-12(13(15)18-14(16)17-10)11-8-21(20-19-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H4,15,16,17,18)
InChIKeySOTGGOFTJUBRMN-UHFFFAOYSA-N
XLogP1.45
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-diamine (CID 126722663) is 6-ethyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1-c1cn(-c2ccccc2)nn1.
What is the InChIKey of 6-ethyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is SOTGGOFTJUBRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7/c1-2-10-12(13(15)18-14(16)17-10)11-8-21(20-19-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H4,15,16,17,18).
What are the key properties of 6-ethyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-diamine?
6-ethyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 281.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(1-phenyltriazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 126722663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).