[4-[6-(methylamino)-2-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C20H23N7OS — CID 92562961

IUPAC[4-[6-(methylamino)-2-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCNc1cc(C2CCN(C(=O)c3cnc(C)cn3)CC2)nc(-c2cnc(C)s2)n1
InChIInChI=1S/C20H23N7OS/c1-12-9-24-16(10-22-12)20(28)27-6-4-14(5-7-27)15-8-18(21-3)26-19(25-15)17-11-23-13(2)29-17/h8-11,14H,4-7H2,1-3H3,(H,21,25,26)
InChIKeyKVFNPBIVTXCJQY-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.07
Rot. Bonds4

About [4-[6-(methylamino)-2-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[4-[6-(methylamino)-2-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 92562961) has the molecular formula C20H23N7OS and a molecular weight of 409.52 g/mol. Its IUPAC name is [4-[6-(methylamino)-2-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[4-[6-(methylamino)-2-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID92562961
Molecular FormulaC20H23N7OS
Molecular Weight409.52 g/mol
Exact Mass409.17
IUPAC Name[4-[6-(methylamino)-2-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCNc1cc(C2CCN(C(=O)c3cnc(C)cn3)CC2)nc(-c2cnc(C)s2)n1
InChIInChI=1S/C20H23N7OS/c1-12-9-24-16(10-22-12)20(28)27-6-4-14(5-7-27)15-8-18(21-3)26-19(25-15)17-11-23-13(2)29-17/h8-11,14H,4-7H2,1-3H3,(H,21,25,26)
InChIKeyKVFNPBIVTXCJQY-UHFFFAOYSA-N
XLogP3.07
TPSA96.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(methylamino)-2-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [4-[6-(methylamino)-2-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 92562961) is [4-[6-(methylamino)-2-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [4-[6-(methylamino)-2-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [4-[6-(methylamino)-2-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is CNc1cc(C2CCN(C(=O)c3cnc(C)cn3)CC2)nc(-c2cnc(C)s2)n1.
What is the InChIKey of [4-[6-(methylamino)-2-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is KVFNPBIVTXCJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7OS/c1-12-9-24-16(10-22-12)20(28)27-6-4-14(5-7-27)15-8-18(21-3)26-19(25-15)17-11-23-13(2)29-17/h8-11,14H,4-7H2,1-3H3,(H,21,25,26).
What are the key properties of [4-[6-(methylamino)-2-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[4-[6-(methylamino)-2-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 409.52 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(methylamino)-2-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 92562961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).