2,4-diamino-6-[[(1R)-1-(1-methyl-6-morpholin-4-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]amino]pyrimidine-5-carbonitrile

C19H23N9O — CID 73056003

IUPAC2,4-diamino-6-[[(1R)-1-(1-methyl-6-morpholin-4-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@@H](Nc1nc(N)nc(N)c1C#N)c1nc2ccn(C)c2cc1N1CCOCC1
InChIInChI=1S/C19H23N9O/c1-11(23-18-12(10-20)17(21)25-19(22)26-18)16-15(28-5-7-29-8-6-28)9-14-13(24-16)3-4-27(14)2/h3-4,9,11H,5-8H2,1-2H3,(H5,21,22,23,25,26)/t11-/m1/s1
InChIKeyQXAUERXCFQLAEN-LLVKDONJSA-N
MW393.46 g/mol
LogP1.41
Rot. Bonds4

About 2,4-diamino-6-[[(1R)-1-(1-methyl-6-morpholin-4-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]amino]pyrimidine-5-carbonitrile

2,4-diamino-6-[[(1R)-1-(1-methyl-6-morpholin-4-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]amino]pyrimidine-5-carbonitrile (PubChem CID 73056003) has the molecular formula C19H23N9O and a molecular weight of 393.46 g/mol. Its IUPAC name is 2,4-diamino-6-[[(1R)-1-(1-methyl-6-morpholin-4-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-[[(1R)-1-(1-methyl-6-morpholin-4-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]amino]pyrimidine-5-carbonitrile
PubChem CID73056003
Molecular FormulaC19H23N9O
Molecular Weight393.46 g/mol
Exact Mass393.20
IUPAC Name2,4-diamino-6-[[(1R)-1-(1-methyl-6-morpholin-4-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@@H](Nc1nc(N)nc(N)c1C#N)c1nc2ccn(C)c2cc1N1CCOCC1
InChIInChI=1S/C19H23N9O/c1-11(23-18-12(10-20)17(21)25-19(22)26-18)16-15(28-5-7-29-8-6-28)9-14-13(24-16)3-4-27(14)2/h3-4,9,11H,5-8H2,1-2H3,(H5,21,22,23,25,26)/t11-/m1/s1
InChIKeyQXAUERXCFQLAEN-LLVKDONJSA-N
XLogP1.41
TPSA143.93 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-[[(1R)-1-(1-methyl-6-morpholin-4-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-[[(1R)-1-(1-methyl-6-morpholin-4-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]amino]pyrimidine-5-carbonitrile (CID 73056003) is 2,4-diamino-6-[[(1R)-1-(1-methyl-6-morpholin-4-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-[[(1R)-1-(1-methyl-6-morpholin-4-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-[[(1R)-1-(1-methyl-6-morpholin-4-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]amino]pyrimidine-5-carbonitrile is C[C@@H](Nc1nc(N)nc(N)c1C#N)c1nc2ccn(C)c2cc1N1CCOCC1.
What is the InChIKey of 2,4-diamino-6-[[(1R)-1-(1-methyl-6-morpholin-4-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The InChIKey is QXAUERXCFQLAEN-LLVKDONJSA-N. The full InChI is InChI=1S/C19H23N9O/c1-11(23-18-12(10-20)17(21)25-19(22)26-18)16-15(28-5-7-29-8-6-28)9-14-13(24-16)3-4-27(14)2/h3-4,9,11H,5-8H2,1-2H3,(H5,21,22,23,25,26)/t11-/m1/s1.
What are the key properties of 2,4-diamino-6-[[(1R)-1-(1-methyl-6-morpholin-4-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]amino]pyrimidine-5-carbonitrile?
2,4-diamino-6-[[(1R)-1-(1-methyl-6-morpholin-4-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]amino]pyrimidine-5-carbonitrile has a molecular weight of 393.46 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-[[(1R)-1-(1-methyl-6-morpholin-4-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 73056003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).