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

C12H18N6O — CID 50959180

IUPAC4-ethoxy-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCCc2nncn2CC)n1
InChIInChI=1S/C12H18N6O/c1-3-18-9-15-17-10(18)5-7-13-12-14-8-6-11(16-12)19-4-2/h6,8-9H,3-5,7H2,1-2H3,(H,13,14,16)
InChIKeyXGOAEQGKVMREPO-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.14
Rot. Bonds7

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

4-ethoxy-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine (PubChem CID 50959180) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
PubChem CID50959180
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-ethoxy-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCCc2nncn2CC)n1
InChIInChI=1S/C12H18N6O/c1-3-18-9-15-17-10(18)5-7-13-12-14-8-6-11(16-12)19-4-2/h6,8-9H,3-5,7H2,1-2H3,(H,13,14,16)
InChIKeyXGOAEQGKVMREPO-UHFFFAOYSA-N
XLogP1.14
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-Ethoxy-6-pyrazol-1-ylpyrimidine
CID 10702836
4-Methoxy-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
CID 36784649
6-isopropoxy-N~4~-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N~4~-methylpyrimidine-2,4-diamine
CID 50952003
4-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidin-2-amine
CID 53623653
(6S)-N-(4-methoxypyrimidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95329616
4-ethoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine
CID 122566345
4-methoxy-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine
CID 129487663
2-(2-Ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-amine
CID 57818674
2-[(1S)-1-[3-(3-ethoxy-1H-pyrazol-5-yl)-2H-imidazol-1-yl]ethyl]-5-fluoropyrimidine
CID 141221937
2-[2-(2,2,2-Trifluoroethyl)pyrazol-3-yl]oxypyrimidin-4-amine
CID 177933436
2-(tert-butyl)-4-methoxy-6-(1H-pyrazol-1-yl)pyrimidine
CID 171129761
6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774850

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine (CID 50959180) is 4-ethoxy-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine is CCOc1ccnc(NCCc2nncn2CC)n1.
What is the InChIKey of 4-ethoxy-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
The InChIKey is XGOAEQGKVMREPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-3-18-9-15-17-10(18)5-7-13-12-14-8-6-11(16-12)19-4-2/h6,8-9H,3-5,7H2,1-2H3,(H,13,14,16).
What are the key properties of 4-ethoxy-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
4-ethoxy-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine has a molecular weight of 262.32 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 50959180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).