2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine

C10H13N5 — CID 102923318

IUPAC2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine
SMILESCn1cc(CC(N)c2cncnc2)cn1
InChIInChI=1S/C10H13N5/c1-15-6-8(3-14-15)2-10(11)9-4-12-7-13-5-9/h3-7,10H,2,11H2,1H3
InChIKeyNVAXCDMLSYFYLM-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.45
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine

2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine (PubChem CID 102923318) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine
PubChem CID102923318
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine
SMILESCn1cc(CC(N)c2cncnc2)cn1
InChIInChI=1S/C10H13N5/c1-15-6-8(3-14-15)2-10(11)9-4-12-7-13-5-9/h3-7,10H,2,11H2,1H3
InChIKeyNVAXCDMLSYFYLM-UHFFFAOYSA-N
XLogP0.45
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 62125918
2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989977
1-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 62126805
2-(1-methylpyrazol-4-yl)-1-pyrazin-2-ylethanamine
CID 62125921
1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethanamine
CID 62551755
2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877993
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 105114026
1-(5-methylpyrazin-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 105114103
1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 103516463
2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine
CID 62127678
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821547
1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 79492316

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine (CID 102923318) is 2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine is Cn1cc(CC(N)c2cncnc2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine?
The InChIKey is NVAXCDMLSYFYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-15-6-8(3-14-15)2-10(11)9-4-12-7-13-5-9/h3-7,10H,2,11H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine?
2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine has a molecular weight of 203.25 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 102923318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).