N-[2-(5-methylpyrazol-1-yl)ethyl]-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine

C19H19N7S — CID 95801245

IUPACN-[2-(5-methylpyrazol-1-yl)ethyl]-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
SMILESCc1ccc(-c2nc(NCCn3nccc3C)ncc2-c2cnccn2)s1
InChIInChI=1S/C19H19N7S/c1-13-5-6-24-26(13)10-9-22-19-23-11-15(16-12-20-7-8-21-16)18(25-19)17-4-3-14(2)27-17/h3-8,11-12H,9-10H2,1-2H3,(H,22,23,25)
InChIKeyXHODZVQGFGNGSE-UHFFFAOYSA-N
MW377.48 g/mol
LogP3.59
Rot. Bonds6

About N-[2-(5-methylpyrazol-1-yl)ethyl]-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine

N-[2-(5-methylpyrazol-1-yl)ethyl]-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine (PubChem CID 95801245) has the molecular formula C19H19N7S and a molecular weight of 377.48 g/mol. Its IUPAC name is N-[2-(5-methylpyrazol-1-yl)ethyl]-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(5-methylpyrazol-1-yl)ethyl]-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
PubChem CID95801245
Molecular FormulaC19H19N7S
Molecular Weight377.48 g/mol
Exact Mass377.14
IUPAC NameN-[2-(5-methylpyrazol-1-yl)ethyl]-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
SMILESCc1ccc(-c2nc(NCCn3nccc3C)ncc2-c2cnccn2)s1
InChIInChI=1S/C19H19N7S/c1-13-5-6-24-26(13)10-9-22-19-23-11-15(16-12-20-7-8-21-16)18(25-19)17-4-3-14(2)27-17/h3-8,11-12H,9-10H2,1-2H3,(H,22,23,25)
InChIKeyXHODZVQGFGNGSE-UHFFFAOYSA-N
XLogP3.59
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
CID 95857472
N-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-N'-methyl-N'-phenylpropane-1,3-diamine
CID 95800111
N-[(3-methoxyphenyl)methyl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 95800143
2,4-dimethyl-N-[2-[[5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]ethyl]pyrimidine-5-carboxamide
CID 46954858
2-fluoro-N-[2-[[5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]ethyl]benzamide
CID 46954841
cis-(1R,2S)-2-methyl-N-[2-[[5-(3-methyl-1,2-oxazol-5-yl)-4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]ethyl]cyclopropane-1-carboxamide
CID 51586139
3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 46361414
ethane;N-methyl-2-(5-methylpyrazol-1-yl)ethanamine
CID 156847760
2-methyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidine
CID 95857470
N-(1,3-benzodioxol-5-ylmethyl)-4-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-pyrazin-2-ylpyrimidin-2-amine
CID 46960991
N-cyclohexyl-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 95800139
N-[(2S)-4-(furan-2-yl)butan-2-yl]-5-pyrazin-2-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 95800147

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylpyrazol-1-yl)ethyl]-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine?
The IUPAC name of N-[2-(5-methylpyrazol-1-yl)ethyl]-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine (CID 95801245) is N-[2-(5-methylpyrazol-1-yl)ethyl]-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(5-methylpyrazol-1-yl)ethyl]-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-(5-methylpyrazol-1-yl)ethyl]-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine is Cc1ccc(-c2nc(NCCn3nccc3C)ncc2-c2cnccn2)s1.
What is the InChIKey of N-[2-(5-methylpyrazol-1-yl)ethyl]-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine?
The InChIKey is XHODZVQGFGNGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7S/c1-13-5-6-24-26(13)10-9-22-19-23-11-15(16-12-20-7-8-21-16)18(25-19)17-4-3-14(2)27-17/h3-8,11-12H,9-10H2,1-2H3,(H,22,23,25).
What are the key properties of N-[2-(5-methylpyrazol-1-yl)ethyl]-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine?
N-[2-(5-methylpyrazol-1-yl)ethyl]-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine has a molecular weight of 377.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylpyrazol-1-yl)ethyl]-4-(5-methylthiophen-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 95801245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).