N-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine

C17H25N5O — CID 139001010

IUPACN-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine
SMILESCOCc1nc(C)cc(NC2CCCc3cn(C(C)C)nc32)n1
InChIInChI=1S/C17H25N5O/c1-11(2)22-9-13-6-5-7-14(17(13)21-22)19-15-8-12(3)18-16(20-15)10-23-4/h8-9,11,14H,5-7,10H2,1-4H3,(H,18,19,20)
InChIKeyUGEXHOHUDCIMTQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.20
Rot. Bonds5

About N-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine

N-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine (PubChem CID 139001010) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine.

Molecular Properties

Compound NameN-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine
PubChem CID139001010
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine
SMILESCOCc1nc(C)cc(NC2CCCc3cn(C(C)C)nc32)n1
InChIInChI=1S/C17H25N5O/c1-11(2)22-9-13-6-5-7-14(17(13)21-22)19-15-8-12(3)18-16(20-15)10-23-4/h8-9,11,14H,5-7,10H2,1-4H3,(H,18,19,20)
InChIKeyUGEXHOHUDCIMTQ-UHFFFAOYSA-N
XLogP3.20
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine?
The IUPAC name of N-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine (CID 139001010) is N-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine.
What is the SMILES notation for N-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine?
The canonical SMILES for N-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine is COCc1nc(C)cc(NC2CCCc3cn(C(C)C)nc32)n1.
What is the InChIKey of N-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine?
The InChIKey is UGEXHOHUDCIMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-11(2)22-9-13-6-5-7-14(17(13)21-22)19-15-8-12(3)18-16(20-15)10-23-4/h8-9,11,14H,5-7,10H2,1-4H3,(H,18,19,20).
What are the key properties of N-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine?
N-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine has a molecular weight of 315.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine is sourced from PubChem (CID 139001010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).