N-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide

C17H15FN4OS — CID 9025411

IUPACN-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
SMILESO=C(CNc1ncnc2scc(-c3ccc(F)cc3)c12)NC1CC1
InChIInChI=1S/C17H15FN4OS/c18-11-3-1-10(2-4-11)13-8-24-17-15(13)16(20-9-21-17)19-7-14(23)22-12-5-6-12/h1-4,8-9,12H,5-7H2,(H,22,23)(H,19,20,21)
InChIKeyLALPZMRSYSVYMT-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.19
Rot. Bonds5

About N-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide

N-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide (PubChem CID 9025411) has the molecular formula C17H15FN4OS and a molecular weight of 342.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
PubChem CID9025411
Molecular FormulaC17H15FN4OS
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC NameN-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
SMILESO=C(CNc1ncnc2scc(-c3ccc(F)cc3)c12)NC1CC1
InChIInChI=1S/C17H15FN4OS/c18-11-3-1-10(2-4-11)13-8-24-17-15(13)16(20-9-21-17)19-7-14(23)22-12-5-6-12/h1-4,8-9,12H,5-7H2,(H,22,23)(H,19,20,21)
InChIKeyLALPZMRSYSVYMT-UHFFFAOYSA-N
XLogP3.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 2527358
5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 9211901
methyl 4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate
CID 9195748
2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-N-phenylacetamide
CID 24592338
N-(1-cyano-1-cyclopropylethyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 84602445
methyl N-[4-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]carbamate
CID 60504750
(2-fluorophenyl)-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 60504520
2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid
CID 21009469
2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-cyclopentylacetamide
CID 40903594
N-cyclopentyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1154282
5-(4-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 75419576
1-[4-[[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-3-phenoxypropan-2-ol
CID 52943730

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide (CID 9025411) is N-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide is O=C(CNc1ncnc2scc(-c3ccc(F)cc3)c12)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide?
The InChIKey is LALPZMRSYSVYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4OS/c18-11-3-1-10(2-4-11)13-8-24-17-15(13)16(20-9-21-17)19-7-14(23)22-12-5-6-12/h1-4,8-9,12H,5-7H2,(H,22,23)(H,19,20,21).
What are the key properties of N-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide?
N-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 9025411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).