2-[(3-aminooxan-4-yl)amino]-4-(thieno[2,3-b]pyridin-3-ylamino)pyrimidine-5-carboxamide

C17H19N7O2S — CID 123302615

IUPAC2-[(3-aminooxan-4-yl)amino]-4-(thieno[2,3-b]pyridin-3-ylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCOCC2N)nc1Nc1csc2ncccc12
InChIInChI=1S/C17H19N7O2S/c18-11-7-26-5-3-12(11)23-17-21-6-10(14(19)25)15(24-17)22-13-8-27-16-9(13)2-1-4-20-16/h1-2,4,6,8,11-12H,3,5,7,18H2,(H2,19,25)(H2,21,22,23,24)
InChIKeyLVGZFJGAIRHSPQ-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.46
Rot. Bonds5

About 2-[(3-aminooxan-4-yl)amino]-4-(thieno[2,3-b]pyridin-3-ylamino)pyrimidine-5-carboxamide

2-[(3-aminooxan-4-yl)amino]-4-(thieno[2,3-b]pyridin-3-ylamino)pyrimidine-5-carboxamide (PubChem CID 123302615) has the molecular formula C17H19N7O2S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[(3-aminooxan-4-yl)amino]-4-(thieno[2,3-b]pyridin-3-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3-aminooxan-4-yl)amino]-4-(thieno[2,3-b]pyridin-3-ylamino)pyrimidine-5-carboxamide
PubChem CID123302615
Molecular FormulaC17H19N7O2S
Molecular Weight385.45 g/mol
Exact Mass385.13
IUPAC Name2-[(3-aminooxan-4-yl)amino]-4-(thieno[2,3-b]pyridin-3-ylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCOCC2N)nc1Nc1csc2ncccc12
InChIInChI=1S/C17H19N7O2S/c18-11-7-26-5-3-12(11)23-17-21-6-10(14(19)25)15(24-17)22-13-8-27-16-9(13)2-1-4-20-16/h1-2,4,6,8,11-12H,3,5,7,18H2,(H2,19,25)(H2,21,22,23,24)
InChIKeyLVGZFJGAIRHSPQ-UHFFFAOYSA-N
XLogP1.46
TPSA141.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[3,3-difluoro-2-(methylamino)cyclohexyl]amino]-4-(thieno[2,3-b]pyridin-3-ylamino)pyrimidine-5-carboxamide
CID 123739081
6-[[(1R)-2-(aminomethyl)cyclohexyl]amino]-5-fluoro-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide
CID 69284913
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-(oxan-4-yl)anilino]pyrimidine-5-carboxamide
CID 57471966
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(oxan-4-yl)anilino]pyrimidine-5-carboxamide
CID 57471964
6-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-(thieno[2,3-b]pyridin-3-ylamino)pyridine-3-carboxamide
CID 123617312
2-[[(1S)-2-aminocyclohexyl]amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide
CID 67185316
4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide
CID 123987334
2-[(2-aminocyclohexyl)amino]-4-(4-pyridin-3-ylanilino)pyrimidine-5-carboxamide
CID 75165400
2-[(2-aminocyclohexyl)amino]-4-(dibenzofuran-3-ylamino)pyrimidine-5-carboxamide;methane
CID 143890446
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(3-morpholin-4-ylphenyl)anilino]pyrimidine-5-carboxamide
CID 57471960
2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 57472084
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-(morpholin-4-ylmethyl)anilino]pyrimidine-5-carboxamide
CID 57471866

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminooxan-4-yl)amino]-4-(thieno[2,3-b]pyridin-3-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(3-aminooxan-4-yl)amino]-4-(thieno[2,3-b]pyridin-3-ylamino)pyrimidine-5-carboxamide (CID 123302615) is 2-[(3-aminooxan-4-yl)amino]-4-(thieno[2,3-b]pyridin-3-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3-aminooxan-4-yl)amino]-4-(thieno[2,3-b]pyridin-3-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3-aminooxan-4-yl)amino]-4-(thieno[2,3-b]pyridin-3-ylamino)pyrimidine-5-carboxamide is NC(=O)c1cnc(NC2CCOCC2N)nc1Nc1csc2ncccc12.
What is the InChIKey of 2-[(3-aminooxan-4-yl)amino]-4-(thieno[2,3-b]pyridin-3-ylamino)pyrimidine-5-carboxamide?
The InChIKey is LVGZFJGAIRHSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2S/c18-11-7-26-5-3-12(11)23-17-21-6-10(14(19)25)15(24-17)22-13-8-27-16-9(13)2-1-4-20-16/h1-2,4,6,8,11-12H,3,5,7,18H2,(H2,19,25)(H2,21,22,23,24).
What are the key properties of 2-[(3-aminooxan-4-yl)amino]-4-(thieno[2,3-b]pyridin-3-ylamino)pyrimidine-5-carboxamide?
2-[(3-aminooxan-4-yl)amino]-4-(thieno[2,3-b]pyridin-3-ylamino)pyrimidine-5-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 1.46, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminooxan-4-yl)amino]-4-(thieno[2,3-b]pyridin-3-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 123302615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).