2-methyl-5-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine

C20H25N5S — CID 55824060

IUPAC2-methyl-5-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCN(c3ccccn3)CC2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C20H25N5S/c1-14(2)12-16-13-26-20-18(16)19(22-15(3)23-20)25-10-8-24(9-11-25)17-6-4-5-7-21-17/h4-7,13-14H,8-12H2,1-3H3
InChIKeyVGDMSSBEGBTBAU-UHFFFAOYSA-N
MW367.52 g/mol
LogP3.92
Rot. Bonds4

About 2-methyl-5-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine

2-methyl-5-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 55824060) has the molecular formula C20H25N5S and a molecular weight of 367.52 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID55824060
Molecular FormulaC20H25N5S
Molecular Weight367.52 g/mol
Exact Mass367.18
IUPAC Name2-methyl-5-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCN(c3ccccn3)CC2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C20H25N5S/c1-14(2)12-16-13-26-20-18(16)19(22-15(3)23-20)25-10-8-24(9-11-25)17-6-4-5-7-21-17/h4-7,13-14H,8-12H2,1-3H3
InChIKeyVGDMSSBEGBTBAU-UHFFFAOYSA-N
XLogP3.92
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 133276681
2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55832510
5-methyl-3-[[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-1,2-oxazole
CID 55832637
3-ethyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]azetidin-3-ol
CID 133497854
3-methyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-one
CID 133497396
2,5-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757583
[3-[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133367481
[2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-ethylpiperazin-1-yl)methanone
CID 6615554
4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide
CID 75499749
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
N,2-dimethyl-5-(2-methylpropyl)-N-(1-propan-2-ylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 55832430
N-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 86806524

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-5-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine (CID 55824060) is 2-methyl-5-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine is Cc1nc(N2CCN(c3ccccn3)CC2)c2c(CC(C)C)csc2n1.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is VGDMSSBEGBTBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5S/c1-14(2)12-16-13-26-20-18(16)19(22-15(3)23-20)25-10-8-24(9-11-25)17-6-4-5-7-21-17/h4-7,13-14H,8-12H2,1-3H3.
What are the key properties of 2-methyl-5-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
2-methyl-5-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 367.52 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 55824060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).