2-(4-aminopiperidin-1-yl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine

C18H23N7S — CID 122178548

IUPAC2-(4-aminopiperidin-1-yl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESNC1CCN(c2nc(Nc3cc(C4CCC4)[nH]n3)c3sccc3n2)CC1
InChIInChI=1S/C18H23N7S/c19-12-4-7-25(8-5-12)18-20-13-6-9-26-16(13)17(22-18)21-15-10-14(23-24-15)11-2-1-3-11/h6,9-12H,1-5,7-8,19H2,(H2,20,21,22,23,24)
InChIKeyYSTUGLLFYZBJAF-UHFFFAOYSA-N
MW369.50 g/mol
LogP3.35
Rot. Bonds4

About 2-(4-aminopiperidin-1-yl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine

2-(4-aminopiperidin-1-yl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 122178548) has the molecular formula C18H23N7S and a molecular weight of 369.50 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID122178548
Molecular FormulaC18H23N7S
Molecular Weight369.50 g/mol
Exact Mass369.17
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESNC1CCN(c2nc(Nc3cc(C4CCC4)[nH]n3)c3sccc3n2)CC1
InChIInChI=1S/C18H23N7S/c19-12-4-7-25(8-5-12)18-20-13-6-9-26-16(13)17(22-18)21-15-10-14(23-24-15)11-2-1-3-11/h6,9-12H,1-5,7-8,19H2,(H2,20,21,22,23,24)
InChIKeyYSTUGLLFYZBJAF-UHFFFAOYSA-N
XLogP3.35
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

PF-3758309
CID 25227462
CID 49830886
CID 49830886
2-(4-Aminopiperidin-1-Yl)-N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)thieno[3,2-D]pyrimidin-4-Amine
CID 91809512
2-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 15953852
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylthieno[3,2-d]pyrimidin-2-yl]azetidine-2-carboxamide
CID 16117156
5-(Piperidin-3-yl)-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224363
5-(Piperidin-3-yl)-3-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224365
(3S)-3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-3-(4-fluorophenyl)propan-1-ol
CID 68903303
2-(4-aminopiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 122178544
2-(4-aminopiperidin-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 122178545
2-(4-aminopiperidin-1-yl)-N-(5-propyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 122178546
2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 122178547

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine (CID 122178548) is 2-(4-aminopiperidin-1-yl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine is NC1CCN(c2nc(Nc3cc(C4CCC4)[nH]n3)c3sccc3n2)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is YSTUGLLFYZBJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7S/c19-12-4-7-25(8-5-12)18-20-13-6-9-26-16(13)17(22-18)21-15-10-14(23-24-15)11-2-1-3-11/h6,9-12H,1-5,7-8,19H2,(H2,20,21,22,23,24).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
2-(4-aminopiperidin-1-yl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 369.50 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-(5-cyclobutyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 122178548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).