N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

C18H20N6S — CID 110255606

IUPACN-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2nccs2)cc(C2CCCN2Cc2cccnc2)n1
InChIInChI=1S/C18H20N6S/c1-13-21-15(10-17(22-13)23-18-20-7-9-25-18)16-5-3-8-24(16)12-14-4-2-6-19-11-14/h2,4,6-7,9-11,16H,3,5,8,12H2,1H3,(H,20,21,22,23)
InChIKeyOJMQCZITZOTSLT-UHFFFAOYSA-N
MW352.47 g/mol
LogP3.72
Rot. Bonds5

About N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 110255606) has the molecular formula C18H20N6S and a molecular weight of 352.47 g/mol. Its IUPAC name is N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID110255606
Molecular FormulaC18H20N6S
Molecular Weight352.47 g/mol
Exact Mass352.15
IUPAC NameN-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2nccs2)cc(C2CCCN2Cc2cccnc2)n1
InChIInChI=1S/C18H20N6S/c1-13-21-15(10-17(22-13)23-18-20-7-9-25-18)16-5-3-8-24(16)12-14-4-2-6-19-11-14/h2,4,6-7,9-11,16H,3,5,8,12H2,1H3,(H,20,21,22,23)
InChIKeyOJMQCZITZOTSLT-UHFFFAOYSA-N
XLogP3.72
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
CID 110256090
N-[2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124944756
N-[2-methyl-6-(1-pyridin-3-ylazetidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110270468
N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820339
1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820412
N-[2-methyl-6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95820390
4-(1H-imidazol-2-yl)-2-methyl-6-[1-(pyridin-3-ylmethyl)piperidin-2-yl]pyrimidine
CID 110099535
2-methyl-6-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-pyrazin-2-ylpyrimidin-4-amine
CID 95820587
N-[6-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
CID 175659249
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
N-pyridin-2-yl-4-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine
CID 95837564
N-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 110255678

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 110255606) is N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(Nc2nccs2)cc(C2CCCN2Cc2cccnc2)n1.
What is the InChIKey of N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is OJMQCZITZOTSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6S/c1-13-21-15(10-17(22-13)23-18-20-7-9-25-18)16-5-3-8-24(16)12-14-4-2-6-19-11-14/h2,4,6-7,9-11,16H,3,5,8,12H2,1H3,(H,20,21,22,23).
What are the key properties of N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 352.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 110255606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).