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

C16H17N5OS — CID 25231170

IUPACN-propan-2-yl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C16H17N5OS/c1-10(2)19-15(22)13-14-12(5-7-23-14)20-16(21-13)18-9-11-4-3-6-17-8-11/h3-8,10H,9H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyCDUCLUZYLNLKKW-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.84
Rot. Bonds5

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

N-propan-2-yl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 25231170) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-propan-2-yl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID25231170
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-propan-2-yl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C16H17N5OS/c1-10(2)19-15(22)13-14-12(5-7-23-14)20-16(21-13)18-9-11-4-3-6-17-8-11/h3-8,10H,9H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyCDUCLUZYLNLKKW-UHFFFAOYSA-N
XLogP2.84
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58548356
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
4-(4-{2-[(2,2-Dimethylpropanoyl)amino]ethyl}piperidin-1-Yl)thieno[3,2-D]pyrimidine-6-Carboxamide
CID 71304814
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 105
CID 134540034
US10100058, Example 228
CID 134540119
Fovinaciclib
CID 132136461
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
{6-Methylamino-2-[(pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone
CID 25207803

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-propan-2-yl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide (CID 25231170) is N-propan-2-yl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-propan-2-yl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide is CC(C)NC(=O)c1nc(NCc2cccnc2)nc2ccsc12.
What is the InChIKey of N-propan-2-yl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is CDUCLUZYLNLKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-10(2)19-15(22)13-14-12(5-7-23-14)20-16(21-13)18-9-11-4-3-6-17-8-11/h3-8,10H,9H2,1-2H3,(H,19,22)(H,18,20,21).
What are the key properties of N-propan-2-yl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
N-propan-2-yl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 25231170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).