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

C16H23N5S — CID 124987053

IUPACN-[2-methyl-6-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2nccs2)cc([C@H]2CCN(CC(C)C)C2)n1
InChIInChI=1S/C16H23N5S/c1-11(2)9-21-6-4-13(10-21)14-8-15(19-12(3)18-14)20-16-17-5-7-22-16/h5,7-8,11,13H,4,6,9-10H2,1-3H3,(H,17,18,19,20)/t13-/m0/s1
InChIKeyOCWLKCUHWPYTCZ-ZDUSSCGKSA-N
MW317.46 g/mol
LogP3.43
Rot. Bonds5

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

N-[2-methyl-6-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 124987053) has the molecular formula C16H23N5S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[2-methyl-6-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-methyl-6-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID124987053
Molecular FormulaC16H23N5S
Molecular Weight317.46 g/mol
Exact Mass317.17
IUPAC NameN-[2-methyl-6-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2nccs2)cc([C@H]2CCN(CC(C)C)C2)n1
InChIInChI=1S/C16H23N5S/c1-11(2)9-21-6-4-13(10-21)14-8-15(19-12(3)18-14)20-16-17-5-7-22-16/h5,7-8,11,13H,4,6,9-10H2,1-3H3,(H,17,18,19,20)/t13-/m0/s1
InChIKeyOCWLKCUHWPYTCZ-ZDUSSCGKSA-N
XLogP3.43
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-methyl-6-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 124987053) is N-[2-methyl-6-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-methyl-6-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-methyl-6-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(Nc2nccs2)cc([C@H]2CCN(CC(C)C)C2)n1.
What is the InChIKey of N-[2-methyl-6-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is OCWLKCUHWPYTCZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5S/c1-11(2)9-21-6-4-13(10-21)14-8-15(19-12(3)18-14)20-16-17-5-7-22-16/h5,7-8,11,13H,4,6,9-10H2,1-3H3,(H,17,18,19,20)/t13-/m0/s1.
What are the key properties of N-[2-methyl-6-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
N-[2-methyl-6-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 317.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 124987053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).