[5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]-(4-chlorophenyl)methanol

C18H19ClN4O2 — CID 155706421

IUPAC[5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]-(4-chlorophenyl)methanol
SMILESCc1cn(C2CCC(C(O)c3ccc(Cl)cc3)O2)c2ncnc(N)c12
InChIInChI=1S/C18H19ClN4O2/c1-10-8-23(18-15(10)17(20)21-9-22-18)14-7-6-13(25-14)16(24)11-2-4-12(19)5-3-11/h2-5,8-9,13-14,16,24H,6-7H2,1H3,(H2,20,21,22)
InChIKeyDNTIFTPRRRTPLC-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.39
Rot. Bonds3

About [5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]-(4-chlorophenyl)methanol

[5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]-(4-chlorophenyl)methanol (PubChem CID 155706421) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is [5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]-(4-chlorophenyl)methanol.

Molecular Properties

Compound Name[5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]-(4-chlorophenyl)methanol
PubChem CID155706421
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name[5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]-(4-chlorophenyl)methanol
SMILESCc1cn(C2CCC(C(O)c3ccc(Cl)cc3)O2)c2ncnc(N)c12
InChIInChI=1S/C18H19ClN4O2/c1-10-8-23(18-15(10)17(20)21-9-22-18)14-7-6-13(25-14)16(24)11-2-4-12(19)5-3-11/h2-5,8-9,13-14,16,24H,6-7H2,1H3,(H2,20,21,22)
InChIKeyDNTIFTPRRRTPLC-UHFFFAOYSA-N
XLogP3.39
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[6-[amino(methyl)amino]purin-9-yl]oxolan-2-yl]-(4-chlorophenyl)methanol;methane
CID 155706475
(3-chlorophenyl)-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
CID 145143731
(2R,3S,4R,5R)-2-[(R)-(4-chlorophenyl)-hydroxymethyl]-5-[4-(hydroxyamino)-5-methylpyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
CID 135307584
[4-fluoro-3-(trifluoromethyl)phenyl]-[5-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
CID 145143567
[(3aS,4R,6R,6aR)-4-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-(4-chlorophenyl)methanol
CID 135318671
(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbaldehyde
CID 131965797
[(2S,5R)-5-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol;ethane
CID 145263983
5-(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-2-carbaldehyde
CID 145365126
5-methyl-7-[5-(quinolin-7-yloxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 126637741
(2R,3S,5R)-5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3-[tert-butyl(dimethyl)silyl]oxolane-2-carbaldehyde
CID 131743808
[5-(4-amino-5-ethynylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
CID 142559953
acetamide;[3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]-(4-chlorophenyl)methanol
CID 155706333

Frequently Asked Questions

What is the IUPAC name of [5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]-(4-chlorophenyl)methanol?
The IUPAC name of [5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]-(4-chlorophenyl)methanol (CID 155706421) is [5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]-(4-chlorophenyl)methanol.
What is the SMILES notation for [5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]-(4-chlorophenyl)methanol?
The canonical SMILES for [5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]-(4-chlorophenyl)methanol is Cc1cn(C2CCC(C(O)c3ccc(Cl)cc3)O2)c2ncnc(N)c12.
What is the InChIKey of [5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]-(4-chlorophenyl)methanol?
The InChIKey is DNTIFTPRRRTPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-10-8-23(18-15(10)17(20)21-9-22-18)14-7-6-13(25-14)16(24)11-2-4-12(19)5-3-11/h2-5,8-9,13-14,16,24H,6-7H2,1H3,(H2,20,21,22).
What are the key properties of [5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]-(4-chlorophenyl)methanol?
[5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]-(4-chlorophenyl)methanol has a molecular weight of 358.83 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-amino-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]-(4-chlorophenyl)methanol is sourced from PubChem (CID 155706421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).