N-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-4-amine

C13H17N5S — CID 171993072

IUPACN-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1cnc(N2CCC(N(C)c3ccncn3)C2)s1
InChIInChI=1S/C13H17N5S/c1-10-7-15-13(19-10)18-6-4-11(8-18)17(2)12-3-5-14-9-16-12/h3,5,7,9,11H,4,6,8H2,1-2H3
InChIKeyGZIPZDLEZMDWSQ-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.96
Rot. Bonds3

About N-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-4-amine

N-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 171993072) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is N-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID171993072
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC NameN-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1cnc(N2CCC(N(C)c3ccncn3)C2)s1
InChIInChI=1S/C13H17N5S/c1-10-7-15-13(19-10)18-6-4-11(8-18)17(2)12-3-5-14-9-16-12/h3,5,7,9,11H,4,6,8H2,1-2H3
InChIKeyGZIPZDLEZMDWSQ-UHFFFAOYSA-N
XLogP1.96
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-4-amine (CID 171993072) is N-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-4-amine is Cc1cnc(N2CCC(N(C)c3ccncn3)C2)s1.
What is the InChIKey of N-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is GZIPZDLEZMDWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-10-7-15-13(19-10)18-6-4-11(8-18)17(2)12-3-5-14-9-16-12/h3,5,7,9,11H,4,6,8H2,1-2H3.
What are the key properties of N-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
N-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 275.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 171993072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).