[2-[2-(2-aminopyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone

C20H24N8O2S — CID 25109712

IUPAC[2-[2-(2-aminopyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3nc(N4CCOC(c5cnc(N)nc5)C4)ncc3s2)CC1
InChIInChI=1S/C20H24N8O2S/c1-26-2-4-27(5-3-26)18(29)16-8-14-17(31-16)11-24-20(25-14)28-6-7-30-15(12-28)13-9-22-19(21)23-10-13/h8-11,15H,2-7,12H2,1H3,(H2,21,22,23)
InChIKeyWIYXLTQJLMEVAS-UHFFFAOYSA-N
MW440.53 g/mol
LogP1.03
Rot. Bonds3

About [2-[2-(2-aminopyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone

[2-[2-(2-aminopyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 25109712) has the molecular formula C20H24N8O2S and a molecular weight of 440.53 g/mol. Its IUPAC name is [2-[2-(2-aminopyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[2-(2-aminopyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID25109712
Molecular FormulaC20H24N8O2S
Molecular Weight440.53 g/mol
Exact Mass440.17
IUPAC Name[2-[2-(2-aminopyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3nc(N4CCOC(c5cnc(N)nc5)C4)ncc3s2)CC1
InChIInChI=1S/C20H24N8O2S/c1-26-2-4-27(5-3-26)18(29)16-8-14-17(31-16)11-24-20(25-14)28-6-7-30-15(12-28)13-9-22-19(21)23-10-13/h8-11,15H,2-7,12H2,1H3,(H2,21,22,23)
InChIKeyWIYXLTQJLMEVAS-UHFFFAOYSA-N
XLogP1.03
TPSA113.60 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-aminopyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-[2-(2-aminopyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone (CID 25109712) is [2-[2-(2-aminopyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[2-(2-aminopyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[2-(2-aminopyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc3nc(N4CCOC(c5cnc(N)nc5)C4)ncc3s2)CC1.
What is the InChIKey of [2-[2-(2-aminopyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is WIYXLTQJLMEVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O2S/c1-26-2-4-27(5-3-26)18(29)16-8-14-17(31-16)11-24-20(25-14)28-6-7-30-15(12-28)13-9-22-19(21)23-10-13/h8-11,15H,2-7,12H2,1H3,(H2,21,22,23).
What are the key properties of [2-[2-(2-aminopyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone?
[2-[2-(2-aminopyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 440.53 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-aminopyrimidin-5-yl)morpholin-4-yl]thieno[3,2-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 25109712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).