4-methoxy-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine

C17H21N7OS — CID 72846406

IUPAC4-methoxy-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESCOc1cc(N2CCCC(c3nccn3Cc3cscn3)C2)nc(N)n1
InChIInChI=1S/C17H21N7OS/c1-25-15-7-14(21-17(18)22-15)23-5-2-3-12(8-23)16-19-4-6-24(16)9-13-10-26-11-20-13/h4,6-7,10-12H,2-3,5,8-9H2,1H3,(H2,18,21,22)
InChIKeyVWBSQIDMCQMFJY-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.15
Rot. Bonds5

About 4-methoxy-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine

4-methoxy-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 72846406) has the molecular formula C17H21N7OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 4-methoxy-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine
PubChem CID72846406
Molecular FormulaC17H21N7OS
Molecular Weight371.47 g/mol
Exact Mass371.15
IUPAC Name4-methoxy-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESCOc1cc(N2CCCC(c3nccn3Cc3cscn3)C2)nc(N)n1
InChIInChI=1S/C17H21N7OS/c1-25-15-7-14(21-17(18)22-15)23-5-2-3-12(8-23)16-19-4-6-24(16)9-13-10-26-11-20-13/h4,6-7,10-12H,2-3,5,8-9H2,1H3,(H2,18,21,22)
InChIKeyVWBSQIDMCQMFJY-UHFFFAOYSA-N
XLogP2.15
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine (CID 72846406) is 4-methoxy-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine is COc1cc(N2CCCC(c3nccn3Cc3cscn3)C2)nc(N)n1.
What is the InChIKey of 4-methoxy-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is VWBSQIDMCQMFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7OS/c1-25-15-7-14(21-17(18)22-15)23-5-2-3-12(8-23)16-19-4-6-24(16)9-13-10-26-11-20-13/h4,6-7,10-12H,2-3,5,8-9H2,1H3,(H2,18,21,22).
What are the key properties of 4-methoxy-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine?
4-methoxy-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 371.47 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 72846406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).