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

C17H17BrN4OS — CID 52687743

IUPACN-(4-bromophenyl)-3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
SMILESCCc1cc2c(NCCC(=O)Nc3ccc(Br)cc3)ncnc2s1
InChIInChI=1S/C17H17BrN4OS/c1-2-13-9-14-16(20-10-21-17(14)24-13)19-8-7-15(23)22-12-5-3-11(18)4-6-12/h3-6,9-10H,2,7-8H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyCNZPDPGEIXIJKS-UHFFFAOYSA-N
MW405.32 g/mol
LogP4.46
Rot. Bonds6

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

N-(4-bromophenyl)-3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide (PubChem CID 52687743) has the molecular formula C17H17BrN4OS and a molecular weight of 405.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
PubChem CID52687743
Molecular FormulaC17H17BrN4OS
Molecular Weight405.32 g/mol
Exact Mass404.03
IUPAC NameN-(4-bromophenyl)-3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
SMILESCCc1cc2c(NCCC(=O)Nc3ccc(Br)cc3)ncnc2s1
InChIInChI=1S/C17H17BrN4OS/c1-2-13-9-14-16(20-10-21-17(14)24-13)19-8-7-15(23)22-12-5-3-11(18)4-6-12/h3-6,9-10H,2,7-8H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyCNZPDPGEIXIJKS-UHFFFAOYSA-N
XLogP4.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 6957125
3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-bis(2-methylpropyl)propanamide
CID 39082289
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 650309
N-ethyl-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906628
N-(3-chlorobutyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 65028734
ethyl 4-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 1412737
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dipropylacetamide
CID 39081718
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39084959
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 39084934
1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone
CID 21011274
N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide
CID 110437211
methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 62005776

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-(4-bromophenyl)-3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide (CID 52687743) is N-(4-bromophenyl)-3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide is CCc1cc2c(NCCC(=O)Nc3ccc(Br)cc3)ncnc2s1.
What is the InChIKey of N-(4-bromophenyl)-3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The InChIKey is CNZPDPGEIXIJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4OS/c1-2-13-9-14-16(20-10-21-17(14)24-13)19-8-7-15(23)22-12-5-3-11(18)4-6-12/h3-6,9-10H,2,7-8H2,1H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(4-bromophenyl)-3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
N-(4-bromophenyl)-3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide has a molecular weight of 405.32 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 52687743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).