6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine

C15H23N7O — CID 50957093

IUPAC6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NC(C)c2n[nH]c(C)n2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H23N7O/c1-4-12-9-13(16-10(2)14-17-11(3)20-21-14)19-15(18-12)22-5-7-23-8-6-22/h9-10H,4-8H2,1-3H3,(H,16,18,19)(H,17,20,21)
InChIKeyCETDMCBDKQTEBC-UHFFFAOYSA-N
MW317.40 g/mol
LogP1.48
Rot. Bonds5

About 6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine

6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 50957093) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID50957093
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCCc1cc(NC(C)c2n[nH]c(C)n2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H23N7O/c1-4-12-9-13(16-10(2)14-17-11(3)20-21-14)19-15(18-12)22-5-7-23-8-6-22/h9-10H,4-8H2,1-3H3,(H,16,18,19)(H,17,20,21)
InChIKeyCETDMCBDKQTEBC-UHFFFAOYSA-N
XLogP1.48
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine with MolForge

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Related Compounds

6-ethyl-2-morpholin-4-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 50969465
6-methyl-2-morpholin-4-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 50958773
(2S)-2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylacetamide
CID 135106210
(4R)-1-(2,2-dimethylpropyl)-4-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 95712474
4-[4-ethyl-6-[4-(1-morpholin-4-ylethyl)phenyl]pyrimidin-2-yl]morpholine
CID 50983209
3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide
CID 134706732
6-ethyl-2-morpholin-4-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-4-amine
CID 134698488
6-ethyl-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 50967293
6-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 135108999
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 134708604
4-[4-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholine
CID 39756782
6-ethyl-N-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62192871

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine (CID 50957093) is 6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine is CCc1cc(NC(C)c2n[nH]c(C)n2)nc(N2CCOCC2)n1.
What is the InChIKey of 6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is CETDMCBDKQTEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-4-12-9-13(16-10(2)14-17-11(3)20-21-14)19-15(18-12)22-5-7-23-8-6-22/h9-10H,4-8H2,1-3H3,(H,16,18,19)(H,17,20,21).
What are the key properties of 6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine?
6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 317.40 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 50957093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).