(4S)-N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C13H17N5O — CID 97009703

IUPAC(4S)-N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOc1ccnc(N[C@H]2CCCc3c2cnn3C)n1
InChIInChI=1S/C13H17N5O/c1-18-11-5-3-4-10(9(11)8-15-18)16-13-14-7-6-12(17-13)19-2/h6-8,10H,3-5H2,1-2H3,(H,14,16,17)/t10-/m0/s1
InChIKeyGLUJPQWUZVQWNX-JTQLQIEISA-N
MW259.31 g/mol
LogP1.71
Rot. Bonds3

About (4S)-N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

(4S)-N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 97009703) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is (4S)-N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4S)-N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID97009703
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name(4S)-N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOc1ccnc(N[C@H]2CCCc3c2cnn3C)n1
InChIInChI=1S/C13H17N5O/c1-18-11-5-3-4-10(9(11)8-15-18)16-13-14-7-6-12(17-13)19-2/h6-8,10H,3-5H2,1-2H3,(H,14,16,17)/t10-/m0/s1
InChIKeyGLUJPQWUZVQWNX-JTQLQIEISA-N
XLogP1.71
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine with MolForge

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Related Compounds

(4S)-1-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine
CID 32874371
1-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 63329281
3-methoxy-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]benzonitrile
CID 107466622
N-(6-fluoro-2-pyridinyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 113234559
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)isoquinolin-5-amine
CID 43681415
4-N,4-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzene-1,4-diamine
CID 43617025
N-(2-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254701
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
N-(3,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254572
N-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112695271
N-(2,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254589
(4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060056

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4S)-N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 97009703) is (4S)-N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4S)-N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4S)-N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is COc1ccnc(N[C@H]2CCCc3c2cnn3C)n1.
What is the InChIKey of (4S)-N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is GLUJPQWUZVQWNX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N5O/c1-18-11-5-3-4-10(9(11)8-15-18)16-13-14-7-6-12(17-13)19-2/h6-8,10H,3-5H2,1-2H3,(H,14,16,17)/t10-/m0/s1.
What are the key properties of (4S)-N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
(4S)-N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 259.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(4-methoxypyrimidin-2-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 97009703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).