N-[3-[(3S)-oxolan-3-yl]oxypropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C12H17N5O2 — CID 97320360

IUPACN-[3-[(3S)-oxolan-3-yl]oxypropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1nc(NCCCO[C@H]2CCOC2)c2cn[nH]c2n1
InChIInChI=1S/C12H17N5O2/c1(4-19-9-2-5-18-7-9)3-13-11-10-6-16-17-12(10)15-8-14-11/h6,8-9H,1-5,7H2,(H2,13,14,15,16,17)/t9-/m0/s1
InChIKeyXPDOJCSYWXBBSG-VIFPVBQESA-N
MW263.30 g/mol
LogP0.96
Rot. Bonds6

About N-[3-[(3S)-oxolan-3-yl]oxypropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[3-[(3S)-oxolan-3-yl]oxypropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 97320360) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[3-[(3S)-oxolan-3-yl]oxypropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-[(3S)-oxolan-3-yl]oxypropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID97320360
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-[3-[(3S)-oxolan-3-yl]oxypropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1nc(NCCCO[C@H]2CCOC2)c2cn[nH]c2n1
InChIInChI=1S/C12H17N5O2/c1(4-19-9-2-5-18-7-9)3-13-11-10-6-16-17-12(10)15-8-14-11/h6,8-9H,1-5,7H2,(H2,13,14,15,16,17)/t9-/m0/s1
InChIKeyXPDOJCSYWXBBSG-VIFPVBQESA-N
XLogP0.96
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-oxolan-3-yl]oxypropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[3-[(3S)-oxolan-3-yl]oxypropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 97320360) is N-[3-[(3S)-oxolan-3-yl]oxypropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-[(3S)-oxolan-3-yl]oxypropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-[(3S)-oxolan-3-yl]oxypropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is c1nc(NCCCO[C@H]2CCOC2)c2cn[nH]c2n1.
What is the InChIKey of N-[3-[(3S)-oxolan-3-yl]oxypropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is XPDOJCSYWXBBSG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N5O2/c1(4-19-9-2-5-18-7-9)3-13-11-10-6-16-17-12(10)15-8-14-11/h6,8-9H,1-5,7H2,(H2,13,14,15,16,17)/t9-/m0/s1.
What are the key properties of N-[3-[(3S)-oxolan-3-yl]oxypropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[3-[(3S)-oxolan-3-yl]oxypropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 263.30 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-oxolan-3-yl]oxypropyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 97320360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).