N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine

C12H15N5S — CID 73439470

IUPACN-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESCc1nc(Nc2nccs2)cc(C2CCCN2)n1
InChIInChI=1S/C12H15N5S/c1-8-15-10(9-3-2-4-13-9)7-11(16-8)17-12-14-5-6-18-12/h5-7,9,13H,2-4H2,1H3,(H,14,15,16,17)
InChIKeyPADMVBQTFZJAKV-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.41
Rot. Bonds3

About N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine

N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 73439470) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
PubChem CID73439470
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC NameN-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESCc1nc(Nc2nccs2)cc(C2CCCN2)n1
InChIInChI=1S/C12H15N5S/c1-8-15-10(9-3-2-4-13-9)7-11(16-8)17-12-14-5-6-18-12/h5-7,9,13H,2-4H2,1H3,(H,14,15,16,17)
InChIKeyPADMVBQTFZJAKV-UHFFFAOYSA-N
XLogP2.41
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine (CID 73439470) is N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine is Cc1nc(Nc2nccs2)cc(C2CCCN2)n1.
What is the InChIKey of N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is PADMVBQTFZJAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-8-15-10(9-3-2-4-13-9)7-11(16-8)17-12-14-5-6-18-12/h5-7,9,13H,2-4H2,1H3,(H,14,15,16,17).
What are the key properties of N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine?
N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 261.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 73439470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).