5-(1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine

C15H18N6O — CID 166005296

IUPAC5-(1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine
SMILESCC(C)c1cnc2c(ccn2C)c1Oc1cnc(N)nc1N
InChIInChI=1S/C15H18N6O/c1-8(2)10-6-18-14-9(4-5-21(14)3)12(10)22-11-7-19-15(17)20-13(11)16/h4-8H,1-3H3,(H4,16,17,19,20)
InChIKeyWWTFQFGYFMVCAR-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.44
Rot. Bonds3

About 5-(1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine

5-(1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine (PubChem CID 166005296) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-(1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine
PubChem CID166005296
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name5-(1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine
SMILESCC(C)c1cnc2c(ccn2C)c1Oc1cnc(N)nc1N
InChIInChI=1S/C15H18N6O/c1-8(2)10-6-18-14-9(4-5-21(14)3)12(10)22-11-7-19-15(17)20-13(11)16/h4-8H,1-3H3,(H4,16,17,19,20)
InChIKeyWWTFQFGYFMVCAR-UHFFFAOYSA-N
XLogP2.44
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(5-propan-2-ylthieno[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine
CID 166005304
5-[(5-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]pyrimidine-2,4-diamine
CID 155378627
5-(5-methyl-3-propan-2-ylnaphthalen-2-yl)oxypyrimidine-2,4-diamine
CID 58826988
2-methyl-5-[(3-propan-2-yl-1,7-naphthyridin-4-yl)oxy]pyrimidin-4-amine
CID 167626151
4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol
CID 71206317
5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 147504835
7-methylpyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 58813306
5-[(3-methyl-5-propan-2-yl-1H-indol-6-yl)oxy]pyrimidine-2,4-diamine
CID 141170810
amino-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]methanol
CID 163788911
5-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxypyrimidine-2,4-diamine
CID 145374317
N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine
CID 158412823
5-(4-methoxy-5-nitroso-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 88966587

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine?
The IUPAC name of 5-(1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine (CID 166005296) is 5-(1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine.
What is the SMILES notation for 5-(1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine?
The canonical SMILES for 5-(1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine is CC(C)c1cnc2c(ccn2C)c1Oc1cnc(N)nc1N.
What is the InChIKey of 5-(1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine?
The InChIKey is WWTFQFGYFMVCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-8(2)10-6-18-14-9(4-5-21(14)3)12(10)22-11-7-19-15(17)20-13(11)16/h4-8H,1-3H3,(H4,16,17,19,20).
What are the key properties of 5-(1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine?
5-(1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine has a molecular weight of 298.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridin-4-yl)oxypyrimidine-2,4-diamine is sourced from PubChem (CID 166005296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).