5-[[4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one

C20H16F3N5O — CID 11502189

IUPAC5-[[4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccc4)n3)ccc2N1
InChIInChI=1S/C20H16F3N5O/c21-20(22,23)15-11-25-19(28-18(15)24-10-12-4-2-1-3-5-12)26-14-6-7-16-13(8-14)9-17(29)27-16/h1-8,11H,9-10H2,(H,27,29)(H2,24,25,26,28)
InChIKeySVXALMKNVZGHQH-UHFFFAOYSA-N
MW399.38 g/mol
LogP4.35
Rot. Bonds5

About 5-[[4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one

5-[[4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one (PubChem CID 11502189) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is 5-[[4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
PubChem CID11502189
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Name5-[[4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccc4)n3)ccc2N1
InChIInChI=1S/C20H16F3N5O/c21-20(22,23)15-11-25-19(28-18(15)24-10-12-4-2-1-3-5-12)26-14-6-7-16-13(8-14)9-17(29)27-16/h1-8,11H,9-10H2,(H,27,29)(H2,24,25,26,28)
InChIKeySVXALMKNVZGHQH-UHFFFAOYSA-N
XLogP4.35
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one (CID 11502189) is 5-[[4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one is O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccc4)n3)ccc2N1.
What is the InChIKey of 5-[[4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
The InChIKey is SVXALMKNVZGHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c21-20(22,23)15-11-25-19(28-18(15)24-10-12-4-2-1-3-5-12)26-14-6-7-16-13(8-14)9-17(29)27-16/h1-8,11H,9-10H2,(H,27,29)(H2,24,25,26,28).
What are the key properties of 5-[[4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one?
5-[[4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one has a molecular weight of 399.38 g/mol, XLogP of 4.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(benzylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 11502189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).