5-[[5-methoxy-4-(2-pyridin-2-ylethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one

C20H20N6O2 — CID 57477100

IUPAC5-[[5-methoxy-4-(2-pyridin-2-ylethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESCOc1cnc(Nc2ccc3c(c2)CC(=O)N3)nc1NCCc1ccccn1
InChIInChI=1S/C20H20N6O2/c1-28-17-12-23-20(24-15-5-6-16-13(10-15)11-18(27)25-16)26-19(17)22-9-7-14-4-2-3-8-21-14/h2-6,8,10,12H,7,9,11H2,1H3,(H,25,27)(H2,22,23,24,26)
InChIKeyCEQNDSAPKULDBW-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.77
Rot. Bonds7

About 5-[[5-methoxy-4-(2-pyridin-2-ylethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one

5-[[5-methoxy-4-(2-pyridin-2-ylethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one (PubChem CID 57477100) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 5-[[5-methoxy-4-(2-pyridin-2-ylethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[5-methoxy-4-(2-pyridin-2-ylethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
PubChem CID57477100
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name5-[[5-methoxy-4-(2-pyridin-2-ylethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESCOc1cnc(Nc2ccc3c(c2)CC(=O)N3)nc1NCCc1ccccn1
InChIInChI=1S/C20H20N6O2/c1-28-17-12-23-20(24-15-5-6-16-13(10-15)11-18(27)25-16)26-19(17)22-9-7-14-4-2-3-8-21-14/h2-6,8,10,12H,7,9,11H2,1H3,(H,25,27)(H2,22,23,24,26)
InChIKeyCEQNDSAPKULDBW-UHFFFAOYSA-N
XLogP2.77
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-methoxy-4-(2-pyridin-2-ylethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[5-methoxy-4-(2-pyridin-2-ylethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one (CID 57477100) is 5-[[5-methoxy-4-(2-pyridin-2-ylethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[5-methoxy-4-(2-pyridin-2-ylethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[5-methoxy-4-(2-pyridin-2-ylethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one is COc1cnc(Nc2ccc3c(c2)CC(=O)N3)nc1NCCc1ccccn1.
What is the InChIKey of 5-[[5-methoxy-4-(2-pyridin-2-ylethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The InChIKey is CEQNDSAPKULDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-28-17-12-23-20(24-15-5-6-16-13(10-15)11-18(27)25-16)26-19(17)22-9-7-14-4-2-3-8-21-14/h2-6,8,10,12H,7,9,11H2,1H3,(H,25,27)(H2,22,23,24,26).
What are the key properties of 5-[[5-methoxy-4-(2-pyridin-2-ylethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
5-[[5-methoxy-4-(2-pyridin-2-ylethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one has a molecular weight of 376.42 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-methoxy-4-(2-pyridin-2-ylethylamino)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 57477100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).