[(2S,4S,5R)-5-[2-amino-4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]methanol

C15H21N5O2 — CID 71158776

IUPAC[(2S,4S,5R)-5-[2-amino-4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]methanol
SMILESC[C@H]1C[C@@H](CO)O[C@H]1n1ccc2c(NC3CC3)nc(N)nc21
InChIInChI=1S/C15H21N5O2/c1-8-6-10(7-21)22-14(8)20-5-4-11-12(17-9-2-3-9)18-15(16)19-13(11)20/h4-5,8-10,14,21H,2-3,6-7H2,1H3,(H3,16,17,18,19)/t8-,10-,14+/m0/s1
InChIKeyRJVJSLUCSOZZHZ-QEVYDEPDSA-N
MW303.37 g/mol
LogP1.50
Rot. Bonds4

About [(2S,4S,5R)-5-[2-amino-4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]methanol

[(2S,4S,5R)-5-[2-amino-4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]methanol (PubChem CID 71158776) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is [(2S,4S,5R)-5-[2-amino-4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S,5R)-5-[2-amino-4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]methanol
PubChem CID71158776
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name[(2S,4S,5R)-5-[2-amino-4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]methanol
SMILESC[C@H]1C[C@@H](CO)O[C@H]1n1ccc2c(NC3CC3)nc(N)nc21
InChIInChI=1S/C15H21N5O2/c1-8-6-10(7-21)22-14(8)20-5-4-11-12(17-9-2-3-9)18-15(16)19-13(11)20/h4-5,8-10,14,21H,2-3,6-7H2,1H3,(H3,16,17,18,19)/t8-,10-,14+/m0/s1
InChIKeyRJVJSLUCSOZZHZ-QEVYDEPDSA-N
XLogP1.50
TPSA98.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5R)-5-[2-amino-4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]methanol?
The IUPAC name of [(2S,4S,5R)-5-[2-amino-4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]methanol (CID 71158776) is [(2S,4S,5R)-5-[2-amino-4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,4S,5R)-5-[2-amino-4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,4S,5R)-5-[2-amino-4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]methanol is C[C@H]1C[C@@H](CO)O[C@H]1n1ccc2c(NC3CC3)nc(N)nc21.
What is the InChIKey of [(2S,4S,5R)-5-[2-amino-4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]methanol?
The InChIKey is RJVJSLUCSOZZHZ-QEVYDEPDSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-8-6-10(7-21)22-14(8)20-5-4-11-12(17-9-2-3-9)18-15(16)19-13(11)20/h4-5,8-10,14,21H,2-3,6-7H2,1H3,(H3,16,17,18,19)/t8-,10-,14+/m0/s1.
What are the key properties of [(2S,4S,5R)-5-[2-amino-4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]methanol?
[(2S,4S,5R)-5-[2-amino-4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]methanol has a molecular weight of 303.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5R)-5-[2-amino-4-(cyclopropylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]methanol is sourced from PubChem (CID 71158776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).