(6R)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C14H19FN6O — CID 124881237

IUPAC(6R)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCc1ncnc(N[C@@H]2CCc3nc(COC)nn3C2)c1F
InChIInChI=1S/C14H19FN6O/c1-3-10-13(15)14(17-8-16-10)18-9-4-5-12-19-11(7-22-2)20-21(12)6-9/h8-9H,3-7H2,1-2H3,(H,16,17,18)/t9-/m1/s1
InChIKeyNHJUWKZZWUMQLO-SECBINFHSA-N
MW306.35 g/mol
LogP1.34
Rot. Bonds5

About (6R)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

(6R)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 124881237) has the molecular formula C14H19FN6O and a molecular weight of 306.35 g/mol. Its IUPAC name is (6R)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6R)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID124881237
Molecular FormulaC14H19FN6O
Molecular Weight306.35 g/mol
Exact Mass306.16
IUPAC Name(6R)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCc1ncnc(N[C@@H]2CCc3nc(COC)nn3C2)c1F
InChIInChI=1S/C14H19FN6O/c1-3-10-13(15)14(17-8-16-10)18-9-4-5-12-19-11(7-22-2)20-21(12)6-9/h8-9H,3-7H2,1-2H3,(H,16,17,18)/t9-/m1/s1
InChIKeyNHJUWKZZWUMQLO-SECBINFHSA-N
XLogP1.34
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6R)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6R)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 124881237) is (6R)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6R)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6R)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is CCc1ncnc(N[C@@H]2CCc3nc(COC)nn3C2)c1F.
What is the InChIKey of (6R)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is NHJUWKZZWUMQLO-SECBINFHSA-N. The full InChI is InChI=1S/C14H19FN6O/c1-3-10-13(15)14(17-8-16-10)18-9-4-5-12-19-11(7-22-2)20-21(12)6-9/h8-9H,3-7H2,1-2H3,(H,16,17,18)/t9-/m1/s1.
What are the key properties of (6R)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6R)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 306.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 124881237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).