6-(4-chlorophenyl)-3,3-dimethyl-2,4-dihydropyrimido[1,2-b]isoindol-6-ol

C19H19ClN2O — CID 10568178

IUPAC6-(4-chlorophenyl)-3,3-dimethyl-2,4-dihydropyrimido[1,2-b]isoindol-6-ol
SMILESCC1(C)CN=C2c3ccccc3C(O)(c3ccc(Cl)cc3)N2C1
InChIInChI=1S/C19H19ClN2O/c1-18(2)11-21-17-15-5-3-4-6-16(15)19(23,22(17)12-18)13-7-9-14(20)10-8-13/h3-10,23H,11-12H2,1-2H3
InChIKeyASZXQHNFBSDBMN-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.64
Rot. Bonds1

About 6-(4-chlorophenyl)-3,3-dimethyl-2,4-dihydropyrimido[1,2-b]isoindol-6-ol

6-(4-chlorophenyl)-3,3-dimethyl-2,4-dihydropyrimido[1,2-b]isoindol-6-ol (PubChem CID 10568178) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3,3-dimethyl-2,4-dihydropyrimido[1,2-b]isoindol-6-ol.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3,3-dimethyl-2,4-dihydropyrimido[1,2-b]isoindol-6-ol
PubChem CID10568178
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name6-(4-chlorophenyl)-3,3-dimethyl-2,4-dihydropyrimido[1,2-b]isoindol-6-ol
SMILESCC1(C)CN=C2c3ccccc3C(O)(c3ccc(Cl)cc3)N2C1
InChIInChI=1S/C19H19ClN2O/c1-18(2)11-21-17-15-5-3-4-6-16(15)19(23,22(17)12-18)13-7-9-14(20)10-8-13/h3-10,23H,11-12H2,1-2H3
InChIKeyASZXQHNFBSDBMN-UHFFFAOYSA-N
XLogP3.64
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3,3-dimethyl-2,4-dihydropyrimido[1,2-b]isoindol-6-ol?
The IUPAC name of 6-(4-chlorophenyl)-3,3-dimethyl-2,4-dihydropyrimido[1,2-b]isoindol-6-ol (CID 10568178) is 6-(4-chlorophenyl)-3,3-dimethyl-2,4-dihydropyrimido[1,2-b]isoindol-6-ol.
What is the SMILES notation for 6-(4-chlorophenyl)-3,3-dimethyl-2,4-dihydropyrimido[1,2-b]isoindol-6-ol?
The canonical SMILES for 6-(4-chlorophenyl)-3,3-dimethyl-2,4-dihydropyrimido[1,2-b]isoindol-6-ol is CC1(C)CN=C2c3ccccc3C(O)(c3ccc(Cl)cc3)N2C1.
What is the InChIKey of 6-(4-chlorophenyl)-3,3-dimethyl-2,4-dihydropyrimido[1,2-b]isoindol-6-ol?
The InChIKey is ASZXQHNFBSDBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-18(2)11-21-17-15-5-3-4-6-16(15)19(23,22(17)12-18)13-7-9-14(20)10-8-13/h3-10,23H,11-12H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-3,3-dimethyl-2,4-dihydropyrimido[1,2-b]isoindol-6-ol?
6-(4-chlorophenyl)-3,3-dimethyl-2,4-dihydropyrimido[1,2-b]isoindol-6-ol has a molecular weight of 326.83 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3,3-dimethyl-2,4-dihydropyrimido[1,2-b]isoindol-6-ol is sourced from PubChem (CID 10568178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).