2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide

C17H18N4OS — CID 59519285

IUPAC2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(C)NC(=O)c1cc2c(-c3ccccc3)nc(N)nc2s1
InChIInChI=1S/C17H18N4OS/c1-3-10(2)19-15(22)13-9-12-14(11-7-5-4-6-8-11)20-17(18)21-16(12)23-13/h4-10H,3H2,1-2H3,(H,19,22)(H2,18,20,21)
InChIKeyPSQCARAQMSQMAX-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.47
Rot. Bonds4

About 2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide

2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 59519285) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID59519285
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCC(C)NC(=O)c1cc2c(-c3ccccc3)nc(N)nc2s1
InChIInChI=1S/C17H18N4OS/c1-3-10(2)19-15(22)13-9-12-14(11-7-5-4-6-8-11)20-17(18)21-16(12)23-13/h4-10H,3H2,1-2H3,(H,19,22)(H2,18,20,21)
InChIKeyPSQCARAQMSQMAX-UHFFFAOYSA-N
XLogP3.47
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(dimethylamino)ethyl]-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 11359791
2-amino-4-phenyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 11176281
2-amino-4-(2,6-dimethylphenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 11359320
ethyl 2-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 11232887
2-amino-4-(2-chloro-4-methylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 70841486
2-amino-4-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 151442239
2-amino-4-(2,4-dichlorophenyl)-N-[1-(dimethylamino)-3-methylpentan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 143009781
2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(2,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59519323
2-amino-4-(3-ethoxyphenyl)-N-methylthieno[2,3-d]pyrimidine-6-carboxamide;(3Z,5Z)-hepta-1,3,5-triene
CID 143009752
N-butan-2-yl-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 43019601
2-amino-4-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 11641062
N-butan-2-yl-4-oxothieno[3,2-c]chromene-2-carboxamide
CID 5202934

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide (CID 59519285) is 2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide is CCC(C)NC(=O)c1cc2c(-c3ccccc3)nc(N)nc2s1.
What is the InChIKey of 2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PSQCARAQMSQMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-3-10(2)19-15(22)13-9-12-14(11-7-5-4-6-8-11)20-17(18)21-16(12)23-13/h4-10H,3H2,1-2H3,(H,19,22)(H2,18,20,21).
What are the key properties of 2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-4-phenylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59519285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).