2-[4-(dimethylamino)phenyl]-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one

C22H23N3O2 — CID 162644450

IUPAC2-[4-(dimethylamino)phenyl]-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1ccc2c(c1)C=C1C(=O)NC(c3ccc(N(C)C)cc3)=NC1O2
InChIInChI=1S/C22H23N3O2/c1-13(2)15-7-10-19-16(11-15)12-18-21(26)23-20(24-22(18)27-19)14-5-8-17(9-6-14)25(3)4/h5-13,22H,1-4H3,(H,23,24,26)
InChIKeyHYNWPVUSDNHJPI-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.55
Rot. Bonds3

About 2-[4-(dimethylamino)phenyl]-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one

2-[4-(dimethylamino)phenyl]-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 162644450) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID162644450
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-[4-(dimethylamino)phenyl]-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1ccc2c(c1)C=C1C(=O)NC(c3ccc(N(C)C)cc3)=NC1O2
InChIInChI=1S/C22H23N3O2/c1-13(2)15-7-10-19-16(11-15)12-18-21(26)23-20(24-22(18)27-19)14-5-8-17(9-6-14)25(3)4/h5-13,22H,1-4H3,(H,23,24,26)
InChIKeyHYNWPVUSDNHJPI-UHFFFAOYSA-N
XLogP3.55
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 162644450) is 2-[4-(dimethylamino)phenyl]-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one is CC(C)c1ccc2c(c1)C=C1C(=O)NC(c3ccc(N(C)C)cc3)=NC1O2.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is HYNWPVUSDNHJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-13(2)15-7-10-19-16(11-15)12-18-21(26)23-20(24-22(18)27-19)14-5-8-17(9-6-14)25(3)4/h5-13,22H,1-4H3,(H,23,24,26).
What are the key properties of 2-[4-(dimethylamino)phenyl]-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
2-[4-(dimethylamino)phenyl]-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one has a molecular weight of 361.45 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 162644450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).