5-amino-2-(cyclopropylamino)-4-[3-(ethylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

C19H21N7O2S — CID 57403036

IUPAC5-amino-2-(cyclopropylamino)-4-[3-(ethylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)Nc1cccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C19H21N7O2S/c1-2-22-19(28)24-11-5-3-4-9(8-11)14-12-13(20)15(16(21)27)29-17(12)26-18(25-14)23-10-6-7-10/h3-5,8,10H,2,6-7,20H2,1H3,(H2,21,27)(H2,22,24,28)(H,23,25,26)
InChIKeyXVLFSISKEYJWGO-UHFFFAOYSA-N
MW411.49 g/mol
LogP2.76
Rot. Bonds6

About 5-amino-2-(cyclopropylamino)-4-[3-(ethylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-2-(cyclopropylamino)-4-[3-(ethylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 57403036) has the molecular formula C19H21N7O2S and a molecular weight of 411.49 g/mol. Its IUPAC name is 5-amino-2-(cyclopropylamino)-4-[3-(ethylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-(cyclopropylamino)-4-[3-(ethylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID57403036
Molecular FormulaC19H21N7O2S
Molecular Weight411.49 g/mol
Exact Mass411.15
IUPAC Name5-amino-2-(cyclopropylamino)-4-[3-(ethylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)Nc1cccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C19H21N7O2S/c1-2-22-19(28)24-11-5-3-4-9(8-11)14-12-13(20)15(16(21)27)29-17(12)26-18(25-14)23-10-6-7-10/h3-5,8,10H,2,6-7,20H2,1H3,(H2,21,27)(H2,22,24,28)(H,23,25,26)
InChIKeyXVLFSISKEYJWGO-UHFFFAOYSA-N
XLogP2.76
TPSA148.05 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclopropylamino)-4-[3-(ethylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-(cyclopropylamino)-4-[3-(ethylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 57403036) is 5-amino-2-(cyclopropylamino)-4-[3-(ethylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-(cyclopropylamino)-4-[3-(ethylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-(cyclopropylamino)-4-[3-(ethylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is CCNC(=O)Nc1cccc(-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)c1.
What is the InChIKey of 5-amino-2-(cyclopropylamino)-4-[3-(ethylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is XVLFSISKEYJWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2S/c1-2-22-19(28)24-11-5-3-4-9(8-11)14-12-13(20)15(16(21)27)29-17(12)26-18(25-14)23-10-6-7-10/h3-5,8,10H,2,6-7,20H2,1H3,(H2,21,27)(H2,22,24,28)(H,23,25,26).
What are the key properties of 5-amino-2-(cyclopropylamino)-4-[3-(ethylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-(cyclopropylamino)-4-[3-(ethylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 2.76, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclopropylamino)-4-[3-(ethylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 57403036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).