2,5-dimethyl-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C19H27N5O3S — CID 4602022

IUPAC2,5-dimethyl-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N2CCOCC2)c2c(C)c(C(=O)NCCN3CCOCC3)sc2n1
InChIInChI=1S/C19H27N5O3S/c1-13-15-17(24-7-11-27-12-8-24)21-14(2)22-19(15)28-16(13)18(25)20-3-4-23-5-9-26-10-6-23/h3-12H2,1-2H3,(H,20,25)
InChIKeyLGEMDYLQAXIQFT-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.21
Rot. Bonds5

About 2,5-dimethyl-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

2,5-dimethyl-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 4602022) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2,5-dimethyl-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID4602022
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Name2,5-dimethyl-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N2CCOCC2)c2c(C)c(C(=O)NCCN3CCOCC3)sc2n1
InChIInChI=1S/C19H27N5O3S/c1-13-15-17(24-7-11-27-12-8-24)21-14(2)22-19(15)28-16(13)18(25)20-3-4-23-5-9-26-10-6-23/h3-12H2,1-2H3,(H,20,25)
InChIKeyLGEMDYLQAXIQFT-UHFFFAOYSA-N
XLogP1.21
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-butyl-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 126479654
5-methyl-4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344630
5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344814
2,5-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-N-(3-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 3288500
N-butyl-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 3567886
N-(3-methoxypropyl)-2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 126479657
5-methyl-N-(3-morpholin-4-ylpropyl)-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344805
2,5-dimethyl-N-(2-phenylethyl)-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46363858
3-amino-4,6-dimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23997925
2,5-dimethyl-4-morpholin-4-yl-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 23734696
2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46363911
2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46363913

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,5-dimethyl-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 4602022) is 2,5-dimethyl-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,5-dimethyl-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,5-dimethyl-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(N2CCOCC2)c2c(C)c(C(=O)NCCN3CCOCC3)sc2n1.
What is the InChIKey of 2,5-dimethyl-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is LGEMDYLQAXIQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-13-15-17(24-7-11-27-12-8-24)21-14(2)22-19(15)28-16(13)18(25)20-3-4-23-5-9-26-10-6-23/h3-12H2,1-2H3,(H,20,25).
What are the key properties of 2,5-dimethyl-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
2,5-dimethyl-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 4602022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).