2-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylsulfanylethanamine

C10H13N5S — CID 63698333

IUPAC2-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylsulfanylethanamine
SMILESCn1cc(C(CN)Sc2ccncn2)cn1
InChIInChI=1S/C10H13N5S/c1-15-6-8(5-14-15)9(4-11)16-10-2-3-12-7-13-10/h2-3,5-7,9H,4,11H2,1H3
InChIKeyUEDRUGFELRIRJW-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.00
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylsulfanylethanamine

2-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylsulfanylethanamine (PubChem CID 63698333) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylsulfanylethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylsulfanylethanamine
PubChem CID63698333
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name2-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylsulfanylethanamine
SMILESCn1cc(C(CN)Sc2ccncn2)cn1
InChIInChI=1S/C10H13N5S/c1-15-6-8(5-14-15)9(4-11)16-10-2-3-12-7-13-10/h2-3,5-7,9H,4,11H2,1H3
InChIKeyUEDRUGFELRIRJW-UHFFFAOYSA-N
XLogP1.00
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylpyrazol-4-yl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106921793
2-(3-bromophenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 55225543
2-pyridin-2-yl-2-pyrimidin-4-ylsulfanylethanamine
CID 63696933
2-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 55016886
1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethanamine
CID 62551755
(1-methylpyrazol-4-yl)-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 115528737
2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989977
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65376288
1-pyrimidin-4-ylsulfanylethanol
CID 54459485
1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylpyridine
CID 163486860
(1-propylpyrazol-4-yl)-pyrimidin-4-ylmethanamine
CID 63988738

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylsulfanylethanamine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylsulfanylethanamine (CID 63698333) is 2-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylsulfanylethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylsulfanylethanamine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylsulfanylethanamine is Cn1cc(C(CN)Sc2ccncn2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylsulfanylethanamine?
The InChIKey is UEDRUGFELRIRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-15-6-8(5-14-15)9(4-11)16-10-2-3-12-7-13-10/h2-3,5-7,9H,4,11H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylsulfanylethanamine?
2-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylsulfanylethanamine has a molecular weight of 235.32 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylsulfanylethanamine is sourced from PubChem (CID 63698333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).