4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

C14H15N5O — CID 24801185

IUPAC4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESCC(C)Oc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
InChIInChI=1S/C14H15N5O/c1-8(2)20-11-4-6-16-13-12(11)9(7-18-13)10-3-5-17-14(15)19-10/h3-8H,1-2H3,(H,16,18)(H2,15,17,19)
InChIKeyYRURITXEWXPMAI-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.39
Rot. Bonds3

About 4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 24801185) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
PubChem CID24801185
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESCC(C)Oc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
InChIInChI=1S/C14H15N5O/c1-8(2)20-11-4-6-16-13-12(11)9(7-18-13)10-3-5-17-14(15)19-10/h3-8H,1-2H3,(H,16,18)(H2,15,17,19)
InChIKeyYRURITXEWXPMAI-UHFFFAOYSA-N
XLogP2.39
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (CID 24801185) is 4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is CC(C)Oc1ccnc2[nH]cc(-c3ccnc(N)n3)c12.
What is the InChIKey of 4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is YRURITXEWXPMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-8(2)20-11-4-6-16-13-12(11)9(7-18-13)10-3-5-17-14(15)19-10/h3-8H,1-2H3,(H,16,18)(H2,15,17,19).
What are the key properties of 4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 269.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 24801185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).