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

C20H20N6O2 — CID 135129166

IUPAC5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-phenylpyrrolo[3,2-d]pyrimidin-2-amine
SMILESCn1cc(-n2ccc3nc(Nc4ccccc4)nc(O[C@H]4CCOC4)c32)cn1
InChIInChI=1S/C20H20N6O2/c1-25-12-15(11-21-25)26-9-7-17-18(26)19(28-16-8-10-27-13-16)24-20(23-17)22-14-5-3-2-4-6-14/h2-7,9,11-12,16H,8,10,13H2,1H3,(H,22,23,24)/t16-/m0/s1
InChIKeyWNZNZXWRCWSKKX-INIZCTEOSA-N
MW376.42 g/mol
LogP3.07
Rot. Bonds5

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

5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-phenylpyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 135129166) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-phenylpyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-phenylpyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID135129166
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-phenylpyrrolo[3,2-d]pyrimidin-2-amine
SMILESCn1cc(-n2ccc3nc(Nc4ccccc4)nc(O[C@H]4CCOC4)c32)cn1
InChIInChI=1S/C20H20N6O2/c1-25-12-15(11-21-25)26-9-7-17-18(26)19(28-16-8-10-27-13-16)24-20(23-17)22-14-5-3-2-4-6-14/h2-7,9,11-12,16H,8,10,13H2,1H3,(H,22,23,24)/t16-/m0/s1
InChIKeyWNZNZXWRCWSKKX-INIZCTEOSA-N
XLogP3.07
TPSA79.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-phenylpyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-phenylpyrrolo[3,2-d]pyrimidin-2-amine (CID 135129166) is 5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-phenylpyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-phenylpyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-phenylpyrrolo[3,2-d]pyrimidin-2-amine is Cn1cc(-n2ccc3nc(Nc4ccccc4)nc(O[C@H]4CCOC4)c32)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-phenylpyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is WNZNZXWRCWSKKX-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-25-12-15(11-21-25)26-9-7-17-18(26)19(28-16-8-10-27-13-16)24-20(23-17)22-14-5-3-2-4-6-14/h2-7,9,11-12,16H,8,10,13H2,1H3,(H,22,23,24)/t16-/m0/s1.
What are the key properties of 5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-phenylpyrrolo[3,2-d]pyrimidin-2-amine?
5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-phenylpyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 376.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-phenylpyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 135129166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).