2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine

C14H15N5 — CID 102923576

IUPAC2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine
SMILESCn1nc(CC(N)c2cncnc2)c2ccccc21
InChIInChI=1S/C14H15N5/c1-19-14-5-3-2-4-11(14)13(18-19)6-12(15)10-7-16-9-17-8-10/h2-5,7-9,12H,6,15H2,1H3
InChIKeyWJPBPVRNAYNDHH-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.61
Rot. Bonds3

About 2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine

2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine (PubChem CID 102923576) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine
PubChem CID102923576
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine
SMILESCn1nc(CC(N)c2cncnc2)c2ccccc21
InChIInChI=1S/C14H15N5/c1-19-14-5-3-2-4-11(14)13(18-19)6-12(15)10-7-16-9-17-8-10/h2-5,7-9,12H,6,15H2,1H3
InChIKeyWJPBPVRNAYNDHH-UHFFFAOYSA-N
XLogP1.61
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine
CID 81494685
2-(1-methylindazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanamine
CID 105161433
1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine
CID 106692425
1-(2,5-dichlorothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanamine
CID 107968554
3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine
CID 116719859
[1-(4-iodophenyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine
CID 105318206
2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923732
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
CID 83139294
[2-(1-methylindazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethyl]hydrazine
CID 105318162
1-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylindazol-3-yl)ethanamine
CID 105160306
N-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine
CID 105001147

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine?
The IUPAC name of 2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine (CID 102923576) is 2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine is Cn1nc(CC(N)c2cncnc2)c2ccccc21.
What is the InChIKey of 2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine?
The InChIKey is WJPBPVRNAYNDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-19-14-5-3-2-4-11(14)13(18-19)6-12(15)10-7-16-9-17-8-10/h2-5,7-9,12H,6,15H2,1H3.
What are the key properties of 2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine?
2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine has a molecular weight of 253.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 102923576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).