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

C16H17N7S — CID 95842601

IUPAC4-methyl-N-[2-methyl-6-(1-pyrimidin-4-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2cc(C3CN(c4ccncn4)C3)nc(C)n2)n1
InChIInChI=1S/C16H17N7S/c1-10-8-24-16(19-10)22-14-5-13(20-11(2)21-14)12-6-23(7-12)15-3-4-17-9-18-15/h3-5,8-9,12H,6-7H2,1-2H3,(H,19,20,21,22)
InChIKeyRBEOFEBDIKLGSY-UHFFFAOYSA-N
MW339.43 g/mol
LogP2.69
Rot. Bonds4

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

4-methyl-N-[2-methyl-6-(1-pyrimidin-4-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 95842601) has the molecular formula C16H17N7S and a molecular weight of 339.43 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-6-(1-pyrimidin-4-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-6-(1-pyrimidin-4-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID95842601
Molecular FormulaC16H17N7S
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC Name4-methyl-N-[2-methyl-6-(1-pyrimidin-4-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2cc(C3CN(c4ccncn4)C3)nc(C)n2)n1
InChIInChI=1S/C16H17N7S/c1-10-8-24-16(19-10)22-14-5-13(20-11(2)21-14)12-6-23(7-12)15-3-4-17-9-18-15/h3-5,8-9,12H,6-7H2,1-2H3,(H,19,20,21,22)
InChIKeyRBEOFEBDIKLGSY-UHFFFAOYSA-N
XLogP2.69
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-6-(1-pyrimidin-4-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[2-methyl-6-(1-pyrimidin-4-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 95842601) is 4-methyl-N-[2-methyl-6-(1-pyrimidin-4-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[2-methyl-6-(1-pyrimidin-4-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[2-methyl-6-(1-pyrimidin-4-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1csc(Nc2cc(C3CN(c4ccncn4)C3)nc(C)n2)n1.
What is the InChIKey of 4-methyl-N-[2-methyl-6-(1-pyrimidin-4-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is RBEOFEBDIKLGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7S/c1-10-8-24-16(19-10)22-14-5-13(20-11(2)21-14)12-6-23(7-12)15-3-4-17-9-18-15/h3-5,8-9,12H,6-7H2,1-2H3,(H,19,20,21,22).
What are the key properties of 4-methyl-N-[2-methyl-6-(1-pyrimidin-4-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
4-methyl-N-[2-methyl-6-(1-pyrimidin-4-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 339.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-6-(1-pyrimidin-4-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 95842601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).