7-(2-methylphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine

C17H16N6S — CID 59299209

IUPAC7-(2-methylphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(Nc2nc(Sc3ccccc3C)cc3nccn23)n[nH]1
InChIInChI=1S/C17H16N6S/c1-11-5-3-4-6-13(11)24-16-10-15-18-7-8-23(15)17(20-16)19-14-9-12(2)21-22-14/h3-10H,1-2H3,(H2,19,20,21,22)
InChIKeyMYRAHAIJQRLVHT-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.96
Rot. Bonds4

About 7-(2-methylphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine

7-(2-methylphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 59299209) has the molecular formula C17H16N6S and a molecular weight of 336.42 g/mol. Its IUPAC name is 7-(2-methylphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(2-methylphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID59299209
Molecular FormulaC17H16N6S
Molecular Weight336.42 g/mol
Exact Mass336.12
IUPAC Name7-(2-methylphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(Nc2nc(Sc3ccccc3C)cc3nccn23)n[nH]1
InChIInChI=1S/C17H16N6S/c1-11-5-3-4-6-13(11)24-16-10-15-18-7-8-23(15)17(20-16)19-14-9-12(2)21-22-14/h3-10H,1-2H3,(H2,19,20,21,22)
InChIKeyMYRAHAIJQRLVHT-UHFFFAOYSA-N
XLogP3.96
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 7-(2-methylphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine (CID 59299209) is 7-(2-methylphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 7-(2-methylphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 7-(2-methylphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine is Cc1cc(Nc2nc(Sc3ccccc3C)cc3nccn23)n[nH]1.
What is the InChIKey of 7-(2-methylphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is MYRAHAIJQRLVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6S/c1-11-5-3-4-6-13(11)24-16-10-15-18-7-8-23(15)17(20-16)19-14-9-12(2)21-22-14/h3-10H,1-2H3,(H2,19,20,21,22).
What are the key properties of 7-(2-methylphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine?
7-(2-methylphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 336.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 59299209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).