N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3S)-3-fluoropyrrolidin-1-yl]thieno[3,2-d]pyrimidin-4-amine

C16H17FN6S — CID 170982342

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3S)-3-fluoropyrrolidin-1-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESF[C@H]1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3sccc3n2)C1
InChIInChI=1S/C16H17FN6S/c17-10-3-5-23(8-10)16-18-11-4-6-24-14(11)15(20-16)19-13-7-12(21-22-13)9-1-2-9/h4,6-7,9-10H,1-3,5,8H2,(H2,18,19,20,21,22)/t10-/m0/s1
InChIKeyINMGRWUVAUXDCH-JTQLQIEISA-N
MW344.42 g/mol
LogP3.58
Rot. Bonds4

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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3S)-3-fluoropyrrolidin-1-yl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 170982342) has the molecular formula C16H17FN6S and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3S)-3-fluoropyrrolidin-1-yl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3S)-3-fluoropyrrolidin-1-yl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID170982342
Molecular FormulaC16H17FN6S
Molecular Weight344.42 g/mol
Exact Mass344.12
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3S)-3-fluoropyrrolidin-1-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESF[C@H]1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3sccc3n2)C1
InChIInChI=1S/C16H17FN6S/c17-10-3-5-23(8-10)16-18-11-4-6-24-14(11)15(20-16)19-13-7-12(21-22-13)9-1-2-9/h4,6-7,9-10H,1-3,5,8H2,(H2,18,19,20,21,22)/t10-/m0/s1
InChIKeyINMGRWUVAUXDCH-JTQLQIEISA-N
XLogP3.58
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3S)-3-fluoropyrrolidin-1-yl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3S)-3-fluoropyrrolidin-1-yl]thieno[3,2-d]pyrimidin-4-amine (CID 170982342) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3S)-3-fluoropyrrolidin-1-yl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3S)-3-fluoropyrrolidin-1-yl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3S)-3-fluoropyrrolidin-1-yl]thieno[3,2-d]pyrimidin-4-amine is F[C@H]1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3sccc3n2)C1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3S)-3-fluoropyrrolidin-1-yl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is INMGRWUVAUXDCH-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17FN6S/c17-10-3-5-23(8-10)16-18-11-4-6-24-14(11)15(20-16)19-13-7-12(21-22-13)9-1-2-9/h4,6-7,9-10H,1-3,5,8H2,(H2,18,19,20,21,22)/t10-/m0/s1.
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3S)-3-fluoropyrrolidin-1-yl]thieno[3,2-d]pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3S)-3-fluoropyrrolidin-1-yl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 344.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3S)-3-fluoropyrrolidin-1-yl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 170982342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).