N-[2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine

C17H21N7S — CID 155985352

IUPACN-[2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cc(Nc2ncc(C)s2)nc(C2CCN(Cc3ncc[nH]3)C2)n1
InChIInChI=1S/C17H21N7S/c1-11-7-14(23-17-20-8-12(2)25-17)22-16(21-11)13-3-6-24(9-13)10-15-18-4-5-19-15/h4-5,7-8,13H,3,6,9-10H2,1-2H3,(H,18,19)(H,20,21,22,23)
InChIKeyCXDSVDRTLUBNIH-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.01
Rot. Bonds5

About N-[2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine

N-[2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 155985352) has the molecular formula C17H21N7S and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
PubChem CID155985352
Molecular FormulaC17H21N7S
Molecular Weight355.47 g/mol
Exact Mass355.16
IUPAC NameN-[2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cc(Nc2ncc(C)s2)nc(C2CCN(Cc3ncc[nH]3)C2)n1
InChIInChI=1S/C17H21N7S/c1-11-7-14(23-17-20-8-12(2)25-17)22-16(21-11)13-3-6-24(9-13)10-15-18-4-5-19-15/h4-5,7-8,13H,3,6,9-10H2,1-2H3,(H,18,19)(H,20,21,22,23)
InChIKeyCXDSVDRTLUBNIH-UHFFFAOYSA-N
XLogP3.01
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(2S)-2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole
CID 164634370
N-[5-[[(5S)-2-(5-methyl-1H-imidazo[1,2-a]pyrimidin-4-ium-7-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 155289408
5-[[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099659
5-[[2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 155900823
2-[2-[2-(1H-imidazol-2-yl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]-1,3-thiazole
CID 69351292
5-methyl-N-[6-methyl-2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 142770126
5-isocyano-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]-1,3-thiazol-2-amine;methane
CID 161623266
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine
CID 50966489
N~4~-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-N~2~,N~2~,5,6-tetramethylpyrimidine-2,4-diamine
CID 50982135
6-methyl-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 60965276
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 61016502
4-methyl-6-{4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}-2-pyrimidinamine
CID 70754077

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine (CID 155985352) is N-[2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine is Cc1cc(Nc2ncc(C)s2)nc(C2CCN(Cc3ncc[nH]3)C2)n1.
What is the InChIKey of N-[2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is CXDSVDRTLUBNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7S/c1-11-7-14(23-17-20-8-12(2)25-17)22-16(21-11)13-3-6-24(9-13)10-15-18-4-5-19-15/h4-5,7-8,13H,3,6,9-10H2,1-2H3,(H,18,19)(H,20,21,22,23).
What are the key properties of N-[2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine?
N-[2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 355.47 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 155985352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).