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

C20H21N7S — CID 122178549

IUPAC2-(4-aminopiperidin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESNC1CCN(c2nc(Nc3cc(-c4ccccc4)[nH]n3)c3sccc3n2)CC1
InChIInChI=1S/C20H21N7S/c21-14-6-9-27(10-7-14)20-22-15-8-11-28-18(15)19(24-20)23-17-12-16(25-26-17)13-4-2-1-3-5-13/h1-5,8,11-12,14H,6-7,9-10,21H2,(H2,22,23,24,25,26)
InChIKeyNZPFOLFZDZABEC-UHFFFAOYSA-N
MW391.50 g/mol
LogP3.75
Rot. Bonds4

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

2-(4-aminopiperidin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 122178549) has the molecular formula C20H21N7S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID122178549
Molecular FormulaC20H21N7S
Molecular Weight391.50 g/mol
Exact Mass391.16
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESNC1CCN(c2nc(Nc3cc(-c4ccccc4)[nH]n3)c3sccc3n2)CC1
InChIInChI=1S/C20H21N7S/c21-14-6-9-27(10-7-14)20-22-15-8-11-28-18(15)19(24-20)23-17-12-16(25-26-17)13-4-2-1-3-5-13/h1-5,8,11-12,14H,6-7,9-10,21H2,(H2,22,23,24,25,26)
InChIKeyNZPFOLFZDZABEC-UHFFFAOYSA-N
XLogP3.75
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

PF-3758309
CID 25227462
CID 49830886
CID 49830886
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1-[[2-(1H-indazol-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 57506737
N-pyridin-4-yl-6-(1H-1,2,4-triazol-5-yl)thieno[3,2-c]quinolin-4-amine
CID 58189484
(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

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine (CID 122178549) is 2-(4-aminopiperidin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine is NC1CCN(c2nc(Nc3cc(-c4ccccc4)[nH]n3)c3sccc3n2)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is NZPFOLFZDZABEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7S/c21-14-6-9-27(10-7-14)20-22-15-8-11-28-18(15)19(24-20)23-17-12-16(25-26-17)13-4-2-1-3-5-13/h1-5,8,11-12,14H,6-7,9-10,21H2,(H2,22,23,24,25,26).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
2-(4-aminopiperidin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 391.50 g/mol, XLogP of 3.75, 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-phenyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 122178549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).