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

C14H19N5S — CID 95842476

IUPACN-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2nccs2)cc(C2CN(C(C)C)C2)n1
InChIInChI=1S/C14H19N5S/c1-9(2)19-7-11(8-19)12-6-13(17-10(3)16-12)18-14-15-4-5-20-14/h4-6,9,11H,7-8H2,1-3H3,(H,15,16,17,18)
InChIKeyIXDYBARVLJLPSJ-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.79
Rot. Bonds4

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

N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 95842476) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID95842476
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC NameN-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2nccs2)cc(C2CN(C(C)C)C2)n1
InChIInChI=1S/C14H19N5S/c1-9(2)19-7-11(8-19)12-6-13(17-10(3)16-12)18-14-15-4-5-20-14/h4-6,9,11H,7-8H2,1-3H3,(H,15,16,17,18)
InChIKeyIXDYBARVLJLPSJ-UHFFFAOYSA-N
XLogP2.79
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 95842476) is N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(Nc2nccs2)cc(C2CN(C(C)C)C2)n1.
What is the InChIKey of N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is IXDYBARVLJLPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-9(2)19-7-11(8-19)12-6-13(17-10(3)16-12)18-14-15-4-5-20-14/h4-6,9,11H,7-8H2,1-3H3,(H,15,16,17,18).
What are the key properties of N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 289.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-(1-propan-2-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 95842476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).