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

C12H16ClN5S — CID 118741770

IUPACN-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride
SMILESCc1nc(Nc2nccs2)cc(C2CCCN2)n1.Cl
InChIInChI=1S/C12H15N5S.ClH/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);1H
InChIKeyDNSBRLLKWLKKCT-UHFFFAOYSA-N
MW297.81 g/mol
LogP2.83
Rot. Bonds3

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

N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 118741770) has the molecular formula C12H16ClN5S and a molecular weight of 297.81 g/mol. Its IUPAC name is N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID118741770
Molecular FormulaC12H16ClN5S
Molecular Weight297.81 g/mol
Exact Mass297.08
IUPAC NameN-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride
SMILESCc1nc(Nc2nccs2)cc(C2CCCN2)n1.Cl
InChIInChI=1S/C12H15N5S.ClH/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);1H
InChIKeyDNSBRLLKWLKKCT-UHFFFAOYSA-N
XLogP2.83
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 52.83
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;hydrochloride?
The IUPAC name of N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride (CID 118741770) is N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride is Cc1nc(Nc2nccs2)cc(C2CCCN2)n1.Cl.
What is the InChIKey of N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is DNSBRLLKWLKKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S.ClH/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);1H.
What are the key properties of N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride?
N-(2-methyl-6-pyrrolidin-2-ylpyrimidin-4-yl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 297.81 g/mol, XLogP of 2.83, 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;hydrochloride is sourced from PubChem (CID 118741770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).