(R)-phenyl-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol

C17H18N4O — CID 175667943

IUPAC(R)-phenyl-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESO[C@H](c1ccccc1)[C@H]1CCCN1c1ncnc2[nH]ccc12
InChIInChI=1S/C17H18N4O/c22-15(12-5-2-1-3-6-12)14-7-4-10-21(14)17-13-8-9-18-16(13)19-11-20-17/h1-3,5-6,8-9,11,14-15,22H,4,7,10H2,(H,18,19,20)/t14-,15-/m1/s1
InChIKeySHCVMALSKXBREE-HUUCEWRRSA-N
MW294.36 g/mol
LogP2.66
Rot. Bonds3

About (R)-phenyl-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol

(R)-phenyl-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 175667943) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is (R)-phenyl-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name(R)-phenyl-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID175667943
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name(R)-phenyl-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESO[C@H](c1ccccc1)[C@H]1CCCN1c1ncnc2[nH]ccc12
InChIInChI=1S/C17H18N4O/c22-15(12-5-2-1-3-6-12)14-7-4-10-21(14)17-13-8-9-18-16(13)19-11-20-17/h1-3,5-6,8-9,11,14-15,22H,4,7,10H2,(H,18,19,20)/t14-,15-/m1/s1
InChIKeySHCVMALSKXBREE-HUUCEWRRSA-N
XLogP2.66
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-phenyl-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of (R)-phenyl-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol (CID 175667943) is (R)-phenyl-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for (R)-phenyl-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for (R)-phenyl-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol is O[C@H](c1ccccc1)[C@H]1CCCN1c1ncnc2[nH]ccc12.
What is the InChIKey of (R)-phenyl-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is SHCVMALSKXBREE-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H18N4O/c22-15(12-5-2-1-3-6-12)14-7-4-10-21(14)17-13-8-9-18-16(13)19-11-20-17/h1-3,5-6,8-9,11,14-15,22H,4,7,10H2,(H,18,19,20)/t14-,15-/m1/s1.
What are the key properties of (R)-phenyl-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol?
(R)-phenyl-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 294.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-phenyl-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 175667943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).