6-[2-amino-6-[2-(aminomethyl)-5-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methyl-1,3-dihydroindazol-3-amine

C18H26N8O — CID 91003355

IUPAC6-[2-amino-6-[2-(aminomethyl)-5-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methyl-1,3-dihydroindazol-3-amine
SMILESCC1COC(CN)CN1c1cc(-c2ccc3c(c2)NN(C)C3N)nc(N)n1
InChIInChI=1S/C18H26N8O/c1-10-9-27-12(7-19)8-26(10)16-6-14(22-18(21)23-16)11-3-4-13-15(5-11)24-25(2)17(13)20/h3-6,10,12,17,24H,7-9,19-20H2,1-2H3,(H2,21,22,23)
InChIKeyYDFLZEKHZDZADJ-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.51
Rot. Bonds3

About 6-[2-amino-6-[2-(aminomethyl)-5-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methyl-1,3-dihydroindazol-3-amine

6-[2-amino-6-[2-(aminomethyl)-5-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methyl-1,3-dihydroindazol-3-amine (PubChem CID 91003355) has the molecular formula C18H26N8O and a molecular weight of 370.46 g/mol. Its IUPAC name is 6-[2-amino-6-[2-(aminomethyl)-5-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methyl-1,3-dihydroindazol-3-amine.

Molecular Properties

Compound Name6-[2-amino-6-[2-(aminomethyl)-5-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methyl-1,3-dihydroindazol-3-amine
PubChem CID91003355
Molecular FormulaC18H26N8O
Molecular Weight370.46 g/mol
Exact Mass370.22
IUPAC Name6-[2-amino-6-[2-(aminomethyl)-5-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methyl-1,3-dihydroindazol-3-amine
SMILESCC1COC(CN)CN1c1cc(-c2ccc3c(c2)NN(C)C3N)nc(N)n1
InChIInChI=1S/C18H26N8O/c1-10-9-27-12(7-19)8-26(10)16-6-14(22-18(21)23-16)11-3-4-13-15(5-11)24-25(2)17(13)20/h3-6,10,12,17,24H,7-9,19-20H2,1-2H3,(H2,21,22,23)
InChIKeyYDFLZEKHZDZADJ-UHFFFAOYSA-N
XLogP0.51
TPSA131.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-6-[2-(aminomethyl)-5-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methyl-1,3-dihydroindazol-3-amine?
The IUPAC name of 6-[2-amino-6-[2-(aminomethyl)-5-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methyl-1,3-dihydroindazol-3-amine (CID 91003355) is 6-[2-amino-6-[2-(aminomethyl)-5-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methyl-1,3-dihydroindazol-3-amine.
What is the SMILES notation for 6-[2-amino-6-[2-(aminomethyl)-5-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methyl-1,3-dihydroindazol-3-amine?
The canonical SMILES for 6-[2-amino-6-[2-(aminomethyl)-5-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methyl-1,3-dihydroindazol-3-amine is CC1COC(CN)CN1c1cc(-c2ccc3c(c2)NN(C)C3N)nc(N)n1.
What is the InChIKey of 6-[2-amino-6-[2-(aminomethyl)-5-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methyl-1,3-dihydroindazol-3-amine?
The InChIKey is YDFLZEKHZDZADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8O/c1-10-9-27-12(7-19)8-26(10)16-6-14(22-18(21)23-16)11-3-4-13-15(5-11)24-25(2)17(13)20/h3-6,10,12,17,24H,7-9,19-20H2,1-2H3,(H2,21,22,23).
What are the key properties of 6-[2-amino-6-[2-(aminomethyl)-5-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methyl-1,3-dihydroindazol-3-amine?
6-[2-amino-6-[2-(aminomethyl)-5-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methyl-1,3-dihydroindazol-3-amine has a molecular weight of 370.46 g/mol, XLogP of 0.51, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-6-[2-(aminomethyl)-5-methylmorpholin-4-yl]pyrimidin-4-yl]-2-methyl-1,3-dihydroindazol-3-amine is sourced from PubChem (CID 91003355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).