[4-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone

C25H28N8O2S2 — CID 59829431

IUPAC[4-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1c(-c2csc(C(=O)N3CCN(C)CC3)c2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C25H28N8O2S2/c1-15-19-21(37-20(15)16-11-18(36-14-16)24(34)33-5-3-31(2)4-6-33)23(32-7-9-35-10-8-32)30-22(29-19)17-12-27-25(26)28-13-17/h11-14H,3-10H2,1-2H3,(H2,26,27,28)
InChIKeyRRQVRWUUXHOCGI-UHFFFAOYSA-N
MW536.69 g/mol
LogP2.99
Rot. Bonds4

About [4-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone

[4-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 59829431) has the molecular formula C25H28N8O2S2 and a molecular weight of 536.69 g/mol. Its IUPAC name is [4-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID59829431
Molecular FormulaC25H28N8O2S2
Molecular Weight536.69 g/mol
Exact Mass536.18
IUPAC Name[4-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1c(-c2csc(C(=O)N3CCN(C)CC3)c2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C25H28N8O2S2/c1-15-19-21(37-20(15)16-11-18(36-14-16)24(34)33-5-3-31(2)4-6-33)23(32-7-9-35-10-8-32)30-22(29-19)17-12-27-25(26)28-13-17/h11-14H,3-10H2,1-2H3,(H2,26,27,28)
InChIKeyRRQVRWUUXHOCGI-UHFFFAOYSA-N
XLogP2.99
TPSA113.60 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.69
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze [4-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 59829336
3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-(2-hydroxyethyl)benzamide
CID 59829345
5-[7-methyl-4-morpholin-4-yl-6-(6-thiomorpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 143695009
ethyl 11-(2-aminopyrimidin-5-yl)-9-morpholin-4-yl-7-thia-4,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-4-carboxylate
CID 56838921
(2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one;hydrochloride
CID 57402096
4-[2-(2-aminopyrimidin-5-yl)-7-methyl-6-[4-[2-(sulfinatoamino)ethyl]phenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 118914310
5-(2-methyl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)pyrimidin-2-amine
CID 143782763
3-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropanal
CID 87530195
[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-8-thia-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-12-yl]-(4-fluorophenyl)methanone
CID 56838699
4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-7-methyl-6-(2-methylsulfonyl-1,3-thiazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24968944
1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol
CID 89235079
5-(6-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 59829563

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 59829431) is [4-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone is Cc1c(-c2csc(C(=O)N3CCN(C)CC3)c2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12.
What is the InChIKey of [4-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is RRQVRWUUXHOCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2S2/c1-15-19-21(37-20(15)16-11-18(36-14-16)24(34)33-5-3-31(2)4-6-33)23(32-7-9-35-10-8-32)30-22(29-19)17-12-27-25(26)28-13-17/h11-14H,3-10H2,1-2H3,(H2,26,27,28).
What are the key properties of [4-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone?
[4-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 536.69 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 59829431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).