2-amino-4-[5-[(cyclopropylamino)methyl]-2-methylphenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide

C20H23N5OS — CID 59519246

IUPAC2-amino-4-[5-[(cyclopropylamino)methyl]-2-methylphenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(CNC4CC4)ccc3C)nc(N)nc2s1
InChIInChI=1S/C20H23N5OS/c1-3-22-18(26)16-9-15-17(24-20(21)25-19(15)27-16)14-8-12(5-4-11(14)2)10-23-13-6-7-13/h4-5,8-9,13,23H,3,6-7,10H2,1-2H3,(H,22,26)(H2,21,24,25)
InChIKeyWIHVGWNHQHNVHL-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.25
Rot. Bonds6

About 2-amino-4-[5-[(cyclopropylamino)methyl]-2-methylphenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide

2-amino-4-[5-[(cyclopropylamino)methyl]-2-methylphenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 59519246) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 2-amino-4-[5-[(cyclopropylamino)methyl]-2-methylphenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-[5-[(cyclopropylamino)methyl]-2-methylphenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID59519246
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name2-amino-4-[5-[(cyclopropylamino)methyl]-2-methylphenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(CNC4CC4)ccc3C)nc(N)nc2s1
InChIInChI=1S/C20H23N5OS/c1-3-22-18(26)16-9-15-17(24-20(21)25-19(15)27-16)14-8-12(5-4-11(14)2)10-23-13-6-7-13/h4-5,8-9,13,23H,3,6-7,10H2,1-2H3,(H,22,26)(H2,21,24,25)
InChIKeyWIHVGWNHQHNVHL-UHFFFAOYSA-N
XLogP3.25
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-[(cyclopropylamino)methyl]-2-methylphenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-4-[5-[(cyclopropylamino)methyl]-2-methylphenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 59519246) is 2-amino-4-[5-[(cyclopropylamino)methyl]-2-methylphenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-4-[5-[(cyclopropylamino)methyl]-2-methylphenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-4-[5-[(cyclopropylamino)methyl]-2-methylphenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide is CCNC(=O)c1cc2c(-c3cc(CNC4CC4)ccc3C)nc(N)nc2s1.
What is the InChIKey of 2-amino-4-[5-[(cyclopropylamino)methyl]-2-methylphenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is WIHVGWNHQHNVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-3-22-18(26)16-9-15-17(24-20(21)25-19(15)27-16)14-8-12(5-4-11(14)2)10-23-13-6-7-13/h4-5,8-9,13,23H,3,6-7,10H2,1-2H3,(H,22,26)(H2,21,24,25).
What are the key properties of 2-amino-4-[5-[(cyclopropylamino)methyl]-2-methylphenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-4-[5-[(cyclopropylamino)methyl]-2-methylphenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[5-[(cyclopropylamino)methyl]-2-methylphenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59519246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).