5-[(5-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]pyrimidine-2,4-diamine

C14H18N6O — CID 155378627

IUPAC5-[(5-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]pyrimidine-2,4-diamine
SMILESCC(C)c1cnc2c(c1Oc1cnc(N)nc1N)CCN2
InChIInChI=1S/C14H18N6O/c1-7(2)9-5-18-13-8(3-4-17-13)11(9)21-10-6-19-14(16)20-12(10)15/h5-7H,3-4H2,1-2H3,(H,17,18)(H4,15,16,19,20)
InChIKeyIKGVPXSFRSHQIB-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.92
Rot. Bonds3

About 5-[(5-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]pyrimidine-2,4-diamine

5-[(5-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]pyrimidine-2,4-diamine (PubChem CID 155378627) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-[(5-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(5-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]pyrimidine-2,4-diamine
PubChem CID155378627
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name5-[(5-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]pyrimidine-2,4-diamine
SMILESCC(C)c1cnc2c(c1Oc1cnc(N)nc1N)CCN2
InChIInChI=1S/C14H18N6O/c1-7(2)9-5-18-13-8(3-4-17-13)11(9)21-10-6-19-14(16)20-12(10)15/h5-7H,3-4H2,1-2H3,(H,17,18)(H4,15,16,19,20)
InChIKeyIKGVPXSFRSHQIB-UHFFFAOYSA-N
XLogP1.92
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(5-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]pyrimidine-2,4-diamine (CID 155378627) is 5-[(5-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(5-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(5-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]pyrimidine-2,4-diamine is CC(C)c1cnc2c(c1Oc1cnc(N)nc1N)CCN2.
What is the InChIKey of 5-[(5-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]pyrimidine-2,4-diamine?
The InChIKey is IKGVPXSFRSHQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-7(2)9-5-18-13-8(3-4-17-13)11(9)21-10-6-19-14(16)20-12(10)15/h5-7H,3-4H2,1-2H3,(H,17,18)(H4,15,16,19,20).
What are the key properties of 5-[(5-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]pyrimidine-2,4-diamine?
5-[(5-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]pyrimidine-2,4-diamine has a molecular weight of 286.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 155378627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).