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

C14H13N5OS — CID 25230098

IUPACN-methyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCNC(=O)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C14H13N5OS/c1-15-13(20)11-12-10(4-6-21-12)18-14(19-11)17-8-9-3-2-5-16-7-9/h2-7H,8H2,1H3,(H,15,20)(H,17,18,19)
InChIKeyQBVQGHRDPUQNOB-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.06
Rot. Bonds4

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

N-methyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 25230098) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-methyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID25230098
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC NameN-methyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCNC(=O)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C14H13N5OS/c1-15-13(20)11-12-10(4-6-21-12)18-14(19-11)17-8-9-3-2-5-16-7-9/h2-7H,8H2,1H3,(H,15,20)(H,17,18,19)
InChIKeyQBVQGHRDPUQNOB-UHFFFAOYSA-N
XLogP2.06
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Pyrimidinecarboxamide,2-amino-6-(4-methyl-2-thiazolyl)-n-(2-pyridinylmethyl)-
CID 11313388
N-{2-[1-(6-Carbamoylthieno[3,2-D]pyrimidin-4-Yl)piperidin-4-Yl]ethyl}-N'-Ethylthiophene-2,5-Dicarboxamide
CID 71304813
Pyrimidine-4-carboxamide, 37
CID 11404621
3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 127032072
[2-(Benzylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674477
{6-Methylamino-2-[(pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone
CID 25207803
2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidine-4-carboxylic acid cyclo-hexylamide
CID 25230100
(S)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25230181
{6-Dimethylamino-2-[(pyridine-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone
CID 25230881
{6-Ethylamino-2-[(pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone
CID 25230948
{6-Amino-2-[(pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone
CID 25230949
(+/-)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25231166

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-methyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide (CID 25230098) is N-methyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide is CNC(=O)c1nc(NCc2cccnc2)nc2ccsc12.
What is the InChIKey of N-methyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is QBVQGHRDPUQNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-15-13(20)11-12-10(4-6-21-12)18-14(19-11)17-8-9-3-2-5-16-7-9/h2-7H,8H2,1H3,(H,15,20)(H,17,18,19).
What are the key properties of N-methyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
N-methyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 25230098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).