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

C13H17N5S — CID 110095024

IUPAC4-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nc(C)cs2)nc(C2CCNC2)n1
InChIInChI=1S/C13H17N5S/c1-8-5-11(18-13-16-9(2)7-19-13)17-12(15-8)10-3-4-14-6-10/h5,7,10,14H,3-4,6H2,1-2H3,(H,15,16,17,18)
InChIKeyKODJQTOPONZQNB-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.37
Rot. Bonds3

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

4-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 110095024) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
PubChem CID110095024
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name4-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nc(C)cs2)nc(C2CCNC2)n1
InChIInChI=1S/C13H17N5S/c1-8-5-11(18-13-16-9(2)7-19-13)17-12(15-8)10-3-4-14-6-10/h5,7,10,14H,3-4,6H2,1-2H3,(H,15,16,17,18)
InChIKeyKODJQTOPONZQNB-UHFFFAOYSA-N
XLogP2.37
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 155985242
N-[6-(azetidin-3-yl)-2-methylpyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 175659929
4,5-dimethyl-N-[6-methyl-2-[(3S)-piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124978971
2-amino-1-[(3R)-3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 124966798
4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole
CID 93492448
2-hydroxy-1-[3-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110095412
4-methyl-N-[6-methyl-2-[(3R)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124987825
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 125027098
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 125014641
4-methyl-N-(4-piperidin-4-yloxy-2-pyridinyl)-1,3-thiazol-2-amine
CID 24826060

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine (CID 110095024) is 4-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine is Cc1cc(Nc2nc(C)cs2)nc(C2CCNC2)n1.
What is the InChIKey of 4-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is KODJQTOPONZQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-8-5-11(18-13-16-9(2)7-19-13)17-12(15-8)10-3-4-14-6-10/h5,7,10,14H,3-4,6H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine?
4-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 275.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-methyl-2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 110095024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).