4-methoxy-6-methyl-N-[[(2S,3S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine

C14H20N6O2 — CID 167858225

IUPAC4-methoxy-6-methyl-N-[[(2S,3S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NC[C@@H]2CCO[C@@H]2c2n[nH]c(C)n2)n1
InChIInChI=1S/C14H20N6O2/c1-8-6-11(21-3)18-14(16-8)15-7-10-4-5-22-12(10)13-17-9(2)19-20-13/h6,10,12H,4-5,7H2,1-3H3,(H,15,16,18)(H,17,19,20)/t10-,12-/m0/s1
InChIKeyUTOSTRQXCBAFOS-JQWIXIFHSA-N
MW304.35 g/mol
LogP1.41
Rot. Bonds5

About 4-methoxy-6-methyl-N-[[(2S,3S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine

4-methoxy-6-methyl-N-[[(2S,3S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine (PubChem CID 167858225) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-[[(2S,3S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-[[(2S,3S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
PubChem CID167858225
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name4-methoxy-6-methyl-N-[[(2S,3S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NC[C@@H]2CCO[C@@H]2c2n[nH]c(C)n2)n1
InChIInChI=1S/C14H20N6O2/c1-8-6-11(21-3)18-14(16-8)15-7-10-4-5-22-12(10)13-17-9(2)19-20-13/h6,10,12H,4-5,7H2,1-3H3,(H,15,16,18)(H,17,19,20)/t10-,12-/m0/s1
InChIKeyUTOSTRQXCBAFOS-JQWIXIFHSA-N
XLogP1.41
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-[[(2S,3S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-[[(2S,3S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine (CID 167858225) is 4-methoxy-6-methyl-N-[[(2S,3S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-[[(2S,3S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-[[(2S,3S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine is COc1cc(C)nc(NC[C@@H]2CCO[C@@H]2c2n[nH]c(C)n2)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-[[(2S,3S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine?
The InChIKey is UTOSTRQXCBAFOS-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-8-6-11(21-3)18-14(16-8)15-7-10-4-5-22-12(10)13-17-9(2)19-20-13/h6,10,12H,4-5,7H2,1-3H3,(H,15,16,18)(H,17,19,20)/t10-,12-/m0/s1.
What are the key properties of 4-methoxy-6-methyl-N-[[(2S,3S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine?
4-methoxy-6-methyl-N-[[(2S,3S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine has a molecular weight of 304.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-[[(2S,3S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 167858225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).