N,5-bis(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine

C18H20N8O2 — CID 134607118

IUPACN,5-bis(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine
SMILESCn1cc(Nc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)cn1
InChIInChI=1S/C18H20N8O2/c1-24-9-12(7-19-24)21-18-22-15-3-5-26(13-8-20-25(2)10-13)16(15)17(23-18)28-14-4-6-27-11-14/h3,5,7-10,14H,4,6,11H2,1-2H3,(H,21,22,23)/t14-/m0/s1
InChIKeyPQFAUQPHXMBURK-AWEZNQCLSA-N
MW380.41 g/mol
LogP1.80
Rot. Bonds5

About N,5-bis(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine

N,5-bis(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 134607118) has the molecular formula C18H20N8O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is N,5-bis(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN,5-bis(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID134607118
Molecular FormulaC18H20N8O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC NameN,5-bis(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine
SMILESCn1cc(Nc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)cn1
InChIInChI=1S/C18H20N8O2/c1-24-9-12(7-19-24)21-18-22-15-3-5-26(13-8-20-25(2)10-13)16(15)17(23-18)28-14-4-6-27-11-14/h3,5,7-10,14H,4,6,11H2,1-2H3,(H,21,22,23)/t14-/m0/s1
InChIKeyPQFAUQPHXMBURK-AWEZNQCLSA-N
XLogP1.80
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N,5-bis(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of N,5-bis(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine (CID 134607118) is N,5-bis(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N,5-bis(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N,5-bis(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine is Cn1cc(Nc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)cn1.
What is the InChIKey of N,5-bis(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is PQFAUQPHXMBURK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N8O2/c1-24-9-12(7-19-24)21-18-22-15-3-5-26(13-8-20-25(2)10-13)16(15)17(23-18)28-14-4-6-27-11-14/h3,5,7-10,14H,4,6,11H2,1-2H3,(H,21,22,23)/t14-/m0/s1.
What are the key properties of N,5-bis(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine?
N,5-bis(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 380.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 134607118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).