4-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-phenylpyrimidin-2-amine

C22H23N3O2 — CID 71597224

IUPAC4-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-phenylpyrimidin-2-amine
SMILESCOc1cc2c(cc1-c1cc(-c3ccccc3)nc(N)n1)CCC(C)(C)O2
InChIInChI=1S/C22H23N3O2/c1-22(2)10-9-15-11-16(20(26-3)13-19(15)27-22)18-12-17(24-21(23)25-18)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3,(H2,23,24,25)
InChIKeyIOWBJUOGYOEACE-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.51
Rot. Bonds3

About 4-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-phenylpyrimidin-2-amine

4-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-phenylpyrimidin-2-amine (PubChem CID 71597224) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-phenylpyrimidin-2-amine
PubChem CID71597224
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-phenylpyrimidin-2-amine
SMILESCOc1cc2c(cc1-c1cc(-c3ccccc3)nc(N)n1)CCC(C)(C)O2
InChIInChI=1S/C22H23N3O2/c1-22(2)10-9-15-11-16(20(26-3)13-19(15)27-22)18-12-17(24-21(23)25-18)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3,(H2,23,24,25)
InChIKeyIOWBJUOGYOEACE-UHFFFAOYSA-N
XLogP4.51
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-phenylpyrimidin-2-amine?
The IUPAC name of 4-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-phenylpyrimidin-2-amine (CID 71597224) is 4-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-phenylpyrimidin-2-amine is COc1cc2c(cc1-c1cc(-c3ccccc3)nc(N)n1)CCC(C)(C)O2.
What is the InChIKey of 4-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-phenylpyrimidin-2-amine?
The InChIKey is IOWBJUOGYOEACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-22(2)10-9-15-11-16(20(26-3)13-19(15)27-22)18-12-17(24-21(23)25-18)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3,(H2,23,24,25).
What are the key properties of 4-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-phenylpyrimidin-2-amine?
4-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-phenylpyrimidin-2-amine has a molecular weight of 361.45 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 71597224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).