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

C15H21N5S — CID 95842477

IUPAC4-methyl-N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2cc(C3CN(C(C)C)C3)nc(C)n2)n1
InChIInChI=1S/C15H21N5S/c1-9(2)20-6-12(7-20)13-5-14(18-11(4)17-13)19-15-16-10(3)8-21-15/h5,8-9,12H,6-7H2,1-4H3,(H,16,17,18,19)
InChIKeyFRSRIRVNHJGNJK-UHFFFAOYSA-N
MW303.44 g/mol
LogP3.10
Rot. Bonds4

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

4-methyl-N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 95842477) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID95842477
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name4-methyl-N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2cc(C3CN(C(C)C)C3)nc(C)n2)n1
InChIInChI=1S/C15H21N5S/c1-9(2)20-6-12(7-20)13-5-14(18-11(4)17-13)19-15-16-10(3)8-21-15/h5,8-9,12H,6-7H2,1-4H3,(H,16,17,18,19)
InChIKeyFRSRIRVNHJGNJK-UHFFFAOYSA-N
XLogP3.10
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 95842477) is 4-methyl-N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1csc(Nc2cc(C3CN(C(C)C)C3)nc(C)n2)n1.
What is the InChIKey of 4-methyl-N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is FRSRIRVNHJGNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-9(2)20-6-12(7-20)13-5-14(18-11(4)17-13)19-15-16-10(3)8-21-15/h5,8-9,12H,6-7H2,1-4H3,(H,16,17,18,19).
What are the key properties of 4-methyl-N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
4-methyl-N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 303.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 95842477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).