5-ethyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine

C13H20N6 — CID 72873294

IUPAC5-ethyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCCc1cnc(NCCc2nncn2C(C)C)nc1
InChIInChI=1S/C13H20N6/c1-4-11-7-15-13(16-8-11)14-6-5-12-18-17-9-19(12)10(2)3/h7-10H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyQSHVJNXADBCRRA-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.87
Rot. Bonds6

About 5-ethyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine

5-ethyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine (PubChem CID 72873294) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-ethyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
PubChem CID72873294
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name5-ethyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCCc1cnc(NCCc2nncn2C(C)C)nc1
InChIInChI=1S/C13H20N6/c1-4-11-7-15-13(16-8-11)14-6-5-12-18-17-9-19(12)10(2)3/h7-10H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyQSHVJNXADBCRRA-UHFFFAOYSA-N
XLogP1.87
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 115876465
2,3,5,6-tetrafluoro-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyridin-4-amine
CID 133372907
1-N-(5-ethylpyrimidin-2-yl)butane-1,3-diamine
CID 116974540
4-propan-2-yl-3-(2,3,3-trimethylbutyl)-1,2,4-triazole
CID 115393954
(2S)-2-amino-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentanamide
CID 118774494
1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 62696425
(2S)-2-amino-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentanamide;hydrochloride
CID 154903527
1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine
CID 116974283
8-fluoro-2-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]quinolin-4-amine
CID 133394032
1-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 131923791
2-methoxy-3-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine
CID 103160298
4-(2-hydroxypropan-2-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 167819502

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine (CID 72873294) is 5-ethyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine is CCc1cnc(NCCc2nncn2C(C)C)nc1.
What is the InChIKey of 5-ethyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
The InChIKey is QSHVJNXADBCRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-4-11-7-15-13(16-8-11)14-6-5-12-18-17-9-19(12)10(2)3/h7-10H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 5-ethyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
5-ethyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine has a molecular weight of 260.34 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 72873294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).