[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanol

C9H12N4O — CID 67968917

IUPAC[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanol
SMILESCCNc1ncnc2[nH]cc(CO)c12
InChIInChI=1S/C9H12N4O/c1-2-10-8-7-6(4-14)3-11-9(7)13-5-12-8/h3,5,14H,2,4H2,1H3,(H2,10,11,12,13)
InChIKeyJADXYXZHUPQVTJ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.88
Rot. Bonds3

About [4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanol

[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanol (PubChem CID 67968917) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is [4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanol
PubChem CID67968917
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanol
SMILESCCNc1ncnc2[nH]cc(CO)c12
InChIInChI=1S/C9H12N4O/c1-2-10-8-7-6(4-14)3-11-9(7)13-5-12-8/h3,5,14H,2,4H2,1H3,(H2,10,11,12,13)
InChIKeyJADXYXZHUPQVTJ-UHFFFAOYSA-N
XLogP0.88
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanol?
The IUPAC name of [4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanol (CID 67968917) is [4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanol?
The canonical SMILES for [4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanol is CCNc1ncnc2[nH]cc(CO)c12.
What is the InChIKey of [4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanol?
The InChIKey is JADXYXZHUPQVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-2-10-8-7-6(4-14)3-11-9(7)13-5-12-8/h3,5,14H,2,4H2,1H3,(H2,10,11,12,13).
What are the key properties of [4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanol?
[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanol has a molecular weight of 192.22 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanol is sourced from PubChem (CID 67968917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).