3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)propanamide

C19H30N4OS — CID 39082289

IUPAC3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)propanamide
SMILESCCc1cc2c(NCCC(=O)N(CC(C)C)CC(C)C)ncnc2s1
InChIInChI=1S/C19H30N4OS/c1-6-15-9-16-18(21-12-22-19(16)25-15)20-8-7-17(24)23(10-13(2)3)11-14(4)5/h9,12-14H,6-8,10-11H2,1-5H3,(H,20,21,22)
InChIKeyDHOCCDFLCHTKJV-UHFFFAOYSA-N
MW362.54 g/mol
LogP4.20
Rot. Bonds9

About 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)propanamide

3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)propanamide (PubChem CID 39082289) has the molecular formula C19H30N4OS and a molecular weight of 362.54 g/mol. Its IUPAC name is 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)propanamide
PubChem CID39082289
Molecular FormulaC19H30N4OS
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Name3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)propanamide
SMILESCCc1cc2c(NCCC(=O)N(CC(C)C)CC(C)C)ncnc2s1
InChIInChI=1S/C19H30N4OS/c1-6-15-9-16-18(21-12-22-19(16)25-15)20-8-7-17(24)23(10-13(2)3)11-14(4)5/h9,12-14H,6-8,10-11H2,1-5H3,(H,20,21,22)
InChIKeyDHOCCDFLCHTKJV-UHFFFAOYSA-N
XLogP4.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)acetamide
CID 39081674
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 6957125
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 31539204
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dipropylacetamide
CID 39081718
N-(3-chlorobutyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 65028734
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 650309
N-(4-bromophenyl)-3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 52687743
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061014
N-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906628
methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 62005776
ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 133363399
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(3-methoxypropyl)acetamide
CID 39084926

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)propanamide?
The IUPAC name of 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)propanamide (CID 39082289) is 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)propanamide?
The canonical SMILES for 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)propanamide is CCc1cc2c(NCCC(=O)N(CC(C)C)CC(C)C)ncnc2s1.
What is the InChIKey of 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)propanamide?
The InChIKey is DHOCCDFLCHTKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4OS/c1-6-15-9-16-18(21-12-22-19(16)25-15)20-8-7-17(24)23(10-13(2)3)11-14(4)5/h9,12-14H,6-8,10-11H2,1-5H3,(H,20,21,22).
What are the key properties of 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)propanamide?
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)propanamide has a molecular weight of 362.54 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)propanamide is sourced from PubChem (CID 39082289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).