N-[2-(diethylamino)ethyl]-4-[(2-fluorophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C21H26FN5OS — CID 42368938

IUPACN-[2-(diethylamino)ethyl]-4-[(2-fluorophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)CCNC(=O)c1sc2ncnc(NCc3ccccc3F)c2c1C
InChIInChI=1S/C21H26FN5OS/c1-4-27(5-2)11-10-23-20(28)18-14(3)17-19(25-13-26-21(17)29-18)24-12-15-8-6-7-9-16(15)22/h6-9,13H,4-5,10-12H2,1-3H3,(H,23,28)(H,24,25,26)
InChIKeyPLNDQJNCKGCPNU-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.82
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-4-[(2-fluorophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

N-[2-(diethylamino)ethyl]-4-[(2-fluorophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42368938) has the molecular formula C21H26FN5OS and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[(2-fluorophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[(2-fluorophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID42368938
Molecular FormulaC21H26FN5OS
Molecular Weight415.54 g/mol
Exact Mass415.18
IUPAC NameN-[2-(diethylamino)ethyl]-4-[(2-fluorophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)CCNC(=O)c1sc2ncnc(NCc3ccccc3F)c2c1C
InChIInChI=1S/C21H26FN5OS/c1-4-27(5-2)11-10-23-20(28)18-14(3)17-19(25-13-26-21(17)29-18)24-12-15-8-6-7-9-16(15)22/h6-9,13H,4-5,10-12H2,1-3H3,(H,23,28)(H,24,25,26)
InChIKeyPLNDQJNCKGCPNU-UHFFFAOYSA-N
XLogP3.82
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(diethylamino)ethyl]-4-[(2-fluorophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-butyl-4-[(2-methoxyphenyl)methylamino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42472593
N,N-diethyl-5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 56918848
N-ethyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42451304
4-(ethylamino)-5-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25294318
ethyl 4-[3-(diethylamino)propylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2239208
4-[2-(dimethylamino)ethylamino]-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 25290183
N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45218523
N-(1-hydroxy-2-methylpropan-2-yl)-4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42499865
methyl 3-[[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]propanoate
CID 26400112
4-(ethylamino)-5-methyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26340424
4-(ethylamino)-N-[(2S)-2-hydroxybutyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26401099
N-(3-ethoxypropyl)-4-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42436205

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[(2-fluorophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[(2-fluorophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 42368938) is N-[2-(diethylamino)ethyl]-4-[(2-fluorophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[(2-fluorophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[(2-fluorophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is CCN(CC)CCNC(=O)c1sc2ncnc(NCc3ccccc3F)c2c1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[(2-fluorophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PLNDQJNCKGCPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5OS/c1-4-27(5-2)11-10-23-20(28)18-14(3)17-19(25-13-26-21(17)29-18)24-12-15-8-6-7-9-16(15)22/h6-9,13H,4-5,10-12H2,1-3H3,(H,23,28)(H,24,25,26).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[(2-fluorophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[2-(diethylamino)ethyl]-4-[(2-fluorophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[(2-fluorophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42368938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).