N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C12H18N6 — CID 95257231

IUPACN-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(C)N1CC[C@H](Nc2ncnc3[nH]ncc23)C1
InChIInChI=1S/C12H18N6/c1-8(2)18-4-3-9(6-18)16-11-10-5-15-17-12(10)14-7-13-11/h5,7-9H,3-4,6H2,1-2H3,(H2,13,14,15,16,17)/t9-/m0/s1
InChIKeySETOUXPKBBBRLD-VIFPVBQESA-N
MW246.32 g/mol
LogP1.25
Rot. Bonds3

About N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 95257231) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID95257231
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCC(C)N1CC[C@H](Nc2ncnc3[nH]ncc23)C1
InChIInChI=1S/C12H18N6/c1-8(2)18-4-3-9(6-18)16-11-10-5-15-17-12(10)14-7-13-11/h5,7-9H,3-4,6H2,1-2H3,(H2,13,14,15,16,17)/t9-/m0/s1
InChIKeySETOUXPKBBBRLD-VIFPVBQESA-N
XLogP1.25
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 95257231) is N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CC(C)N1CC[C@H](Nc2ncnc3[nH]ncc23)C1.
What is the InChIKey of N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is SETOUXPKBBBRLD-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N6/c1-8(2)18-4-3-9(6-18)16-11-10-5-15-17-12(10)14-7-13-11/h5,7-9H,3-4,6H2,1-2H3,(H2,13,14,15,16,17)/t9-/m0/s1.
What are the key properties of N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 246.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95257231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).