N-[2-methyl-6-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine

C16H17N7S — CID 155985361

IUPACN-[2-methyl-6-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2nccs2)cc(C2CCN(c3cnccn3)C2)n1
InChIInChI=1S/C16H17N7S/c1-11-20-13(8-14(21-11)22-16-19-5-7-24-16)12-2-6-23(10-12)15-9-17-3-4-18-15/h3-5,7-9,12H,2,6,10H2,1H3,(H,19,20,21,22)
InChIKeyCARRYCHSRBRQNM-UHFFFAOYSA-N
MW339.43 g/mol
LogP2.77
Rot. Bonds4

About N-[2-methyl-6-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine

N-[2-methyl-6-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 155985361) has the molecular formula C16H17N7S and a molecular weight of 339.43 g/mol. Its IUPAC name is N-[2-methyl-6-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-methyl-6-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID155985361
Molecular FormulaC16H17N7S
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC NameN-[2-methyl-6-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2nccs2)cc(C2CCN(c3cnccn3)C2)n1
InChIInChI=1S/C16H17N7S/c1-11-20-13(8-14(21-11)22-16-19-5-7-24-16)12-2-6-23(10-12)15-9-17-3-4-18-15/h3-5,7-9,12H,2,6,10H2,1H3,(H,19,20,21,22)
InChIKeyCARRYCHSRBRQNM-UHFFFAOYSA-N
XLogP2.77
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-methyl-6-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124987053
1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110095428
N,N,2-trimethyl-6-[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]pyrimidin-4-amine
CID 95824032
2-methyl-1-[(3S)-3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 125009792
3-methyl-1-[(3S)-3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
CID 125000494
(E)-1-[3-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 132765889
N-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 66509318
N-[2-methyl-6-(1-pyridin-3-ylazetidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110270468
4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 125014641
4,6-dimethyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpyrrolidin-3-yl]pyrimidin-4-yl]pyrimidin-2-amine
CID 95842295
N-[2-methyl-6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95820390
N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110255606

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-methyl-6-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 155985361) is N-[2-methyl-6-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-methyl-6-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-methyl-6-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(Nc2nccs2)cc(C2CCN(c3cnccn3)C2)n1.
What is the InChIKey of N-[2-methyl-6-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is CARRYCHSRBRQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7S/c1-11-20-13(8-14(21-11)22-16-19-5-7-24-16)12-2-6-23(10-12)15-9-17-3-4-18-15/h3-5,7-9,12H,2,6,10H2,1H3,(H,19,20,21,22).
What are the key properties of N-[2-methyl-6-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
N-[2-methyl-6-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 339.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155985361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).