N-cyclopropyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide

C16H15N5OS — CID 25231169

IUPACN-cyclopropyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C16H15N5OS/c22-15(19-11-3-4-11)13-14-12(5-7-23-14)20-16(21-13)18-9-10-2-1-6-17-8-10/h1-2,5-8,11H,3-4,9H2,(H,19,22)(H,18,20,21)
InChIKeyDJXXCPVDTMEZQZ-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.59
Rot. Bonds5

About N-cyclopropyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide

N-cyclopropyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 25231169) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is N-cyclopropyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID25231169
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC NameN-cyclopropyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C16H15N5OS/c22-15(19-11-3-4-11)13-14-12(5-7-23-14)20-16(21-13)18-9-10-2-1-6-17-8-10/h1-2,5-8,11H,3-4,9H2,(H,19,22)(H,18,20,21)
InChIKeyDJXXCPVDTMEZQZ-UHFFFAOYSA-N
XLogP2.59
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide (CID 25231169) is N-cyclopropyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide is O=C(NC1CC1)c1nc(NCc2cccnc2)nc2ccsc12.
What is the InChIKey of N-cyclopropyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is DJXXCPVDTMEZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c22-15(19-11-3-4-11)13-14-12(5-7-23-14)20-16(21-13)18-9-10-2-1-6-17-8-10/h1-2,5-8,11H,3-4,9H2,(H,19,22)(H,18,20,21).
What are the key properties of N-cyclopropyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
N-cyclopropyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 325.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 25231169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).