6-methoxy-N-methyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidin-4-amine

C15H21N5OS — CID 171995689

IUPAC6-methoxy-N-methyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
SMILESCOc1cc(N(C)C2CCCN(Cc3cscn3)C2)ncn1
InChIInChI=1S/C15H21N5OS/c1-19(14-6-15(21-2)17-10-16-14)13-4-3-5-20(8-13)7-12-9-22-11-18-12/h6,9-11,13H,3-5,7-8H2,1-2H3
InChIKeyAQAJELKADGTBDW-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.04
Rot. Bonds5

About 6-methoxy-N-methyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidin-4-amine

6-methoxy-N-methyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidin-4-amine (PubChem CID 171995689) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 6-methoxy-N-methyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
PubChem CID171995689
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name6-methoxy-N-methyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
SMILESCOc1cc(N(C)C2CCCN(Cc3cscn3)C2)ncn1
InChIInChI=1S/C15H21N5OS/c1-19(14-6-15(21-2)17-10-16-14)13-4-3-5-20(8-13)7-12-9-22-11-18-12/h6,9-11,13H,3-5,7-8H2,1-2H3
InChIKeyAQAJELKADGTBDW-UHFFFAOYSA-N
XLogP2.04
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-methyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidin-4-amine (CID 171995689) is 6-methoxy-N-methyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-methyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-methyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidin-4-amine is COc1cc(N(C)C2CCCN(Cc3cscn3)C2)ncn1.
What is the InChIKey of 6-methoxy-N-methyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is AQAJELKADGTBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-19(14-6-15(21-2)17-10-16-14)13-4-3-5-20(8-13)7-12-9-22-11-18-12/h6,9-11,13H,3-5,7-8H2,1-2H3.
What are the key properties of 6-methoxy-N-methyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidin-4-amine?
6-methoxy-N-methyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 319.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 171995689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).