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

C17H17N5O2S — CID 57392636

IUPAC5-amino-2-(cyclopropylamino)-4-[3-(hydroxymethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(CO)c3)c2c1N
InChIInChI=1S/C17H17N5O2S/c18-12-11-13(9-3-1-2-8(6-9)7-23)21-17(20-10-4-5-10)22-16(11)25-14(12)15(19)24/h1-3,6,10,23H,4-5,7,18H2,(H2,19,24)(H,20,21,22)
InChIKeyVFEZHUPONWJWET-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.11
Rot. Bonds5

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

5-amino-2-(cyclopropylamino)-4-[3-(hydroxymethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 57392636) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 5-amino-2-(cyclopropylamino)-4-[3-(hydroxymethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-(cyclopropylamino)-4-[3-(hydroxymethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID57392636
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name5-amino-2-(cyclopropylamino)-4-[3-(hydroxymethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(CO)c3)c2c1N
InChIInChI=1S/C17H17N5O2S/c18-12-11-13(9-3-1-2-8(6-9)7-23)21-17(20-10-4-5-10)22-16(11)25-14(12)15(19)24/h1-3,6,10,23H,4-5,7,18H2,(H2,19,24)(H,20,21,22)
InChIKeyVFEZHUPONWJWET-UHFFFAOYSA-N
XLogP2.11
TPSA127.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclopropylamino)-4-[3-(hydroxymethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-(cyclopropylamino)-4-[3-(hydroxymethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 57392636) is 5-amino-2-(cyclopropylamino)-4-[3-(hydroxymethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-(cyclopropylamino)-4-[3-(hydroxymethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-(cyclopropylamino)-4-[3-(hydroxymethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is NC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(CO)c3)c2c1N.
What is the InChIKey of 5-amino-2-(cyclopropylamino)-4-[3-(hydroxymethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VFEZHUPONWJWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c18-12-11-13(9-3-1-2-8(6-9)7-23)21-17(20-10-4-5-10)22-16(11)25-14(12)15(19)24/h1-3,6,10,23H,4-5,7,18H2,(H2,19,24)(H,20,21,22).
What are the key properties of 5-amino-2-(cyclopropylamino)-4-[3-(hydroxymethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-(cyclopropylamino)-4-[3-(hydroxymethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclopropylamino)-4-[3-(hydroxymethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 57392636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).