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

C17H21N7S — CID 70754077

IUPAC4-methyl-6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCC(c3nccn3Cc3cscn3)CC2)nc(N)n1
InChIInChI=1S/C17H21N7S/c1-12-8-15(22-17(18)21-12)23-5-2-13(3-6-23)16-19-4-7-24(16)9-14-10-25-11-20-14/h4,7-8,10-11,13H,2-3,5-6,9H2,1H3,(H2,18,21,22)
InChIKeyWWJUUZDHDOFTQX-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.45
Rot. Bonds4

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

4-methyl-6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 70754077) has the molecular formula C17H21N7S and a molecular weight of 355.47 g/mol. Its IUPAC name is 4-methyl-6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine
PubChem CID70754077
Molecular FormulaC17H21N7S
Molecular Weight355.47 g/mol
Exact Mass355.16
IUPAC Name4-methyl-6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCC(c3nccn3Cc3cscn3)CC2)nc(N)n1
InChIInChI=1S/C17H21N7S/c1-12-8-15(22-17(18)21-12)23-5-2-13(3-6-23)16-19-4-7-24(16)9-14-10-25-11-20-14/h4,7-8,10-11,13H,2-3,5-6,9H2,1H3,(H2,18,21,22)
InChIKeyWWJUUZDHDOFTQX-UHFFFAOYSA-N
XLogP2.45
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine (CID 70754077) is 4-methyl-6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine is Cc1cc(N2CCC(c3nccn3Cc3cscn3)CC2)nc(N)n1.
What is the InChIKey of 4-methyl-6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is WWJUUZDHDOFTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7S/c1-12-8-15(22-17(18)21-12)23-5-2-13(3-6-23)16-19-4-7-24(16)9-14-10-25-11-20-14/h4,7-8,10-11,13H,2-3,5-6,9H2,1H3,(H2,18,21,22).
What are the key properties of 4-methyl-6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine?
4-methyl-6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 355.47 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 70754077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).