4-[6-(4-hydroxyphenyl)-2-imino-3-methyl-4,5-dihydropyrimidin-4-yl]-5-methoxy-2-(2-methylbut-3-en-2-yl)phenol

C23H27N3O3 — CID 141479261

IUPAC4-[6-(4-hydroxyphenyl)-2-imino-3-methyl-4,5-dihydropyrimidin-4-yl]-5-methoxy-2-(2-methylbut-3-en-2-yl)phenol
SMILES[H]/N=C1\N=C(c2ccc(O)cc2)CC(c2cc(C(C)(C)C=C)c(O)cc2OC)N1C
InChIInChI=1S/C23H27N3O3/c1-6-23(2,3)17-11-16(21(29-5)13-20(17)28)19-12-18(25-22(24)26(19)4)14-7-9-15(27)10-8-14/h6-11,13,19,24,27-28H,1,12H2,2-5H3/b24-22+
InChIKeyOWKVJBAXFXHINF-ZNTNEXAZSA-N
MW393.49 g/mol
LogP4.37
Rot. Bonds5

About 4-[6-(4-hydroxyphenyl)-2-imino-3-methyl-4,5-dihydropyrimidin-4-yl]-5-methoxy-2-(2-methylbut-3-en-2-yl)phenol

4-[6-(4-hydroxyphenyl)-2-imino-3-methyl-4,5-dihydropyrimidin-4-yl]-5-methoxy-2-(2-methylbut-3-en-2-yl)phenol (PubChem CID 141479261) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-[6-(4-hydroxyphenyl)-2-imino-3-methyl-4,5-dihydropyrimidin-4-yl]-5-methoxy-2-(2-methylbut-3-en-2-yl)phenol.

Molecular Properties

Compound Name4-[6-(4-hydroxyphenyl)-2-imino-3-methyl-4,5-dihydropyrimidin-4-yl]-5-methoxy-2-(2-methylbut-3-en-2-yl)phenol
PubChem CID141479261
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name4-[6-(4-hydroxyphenyl)-2-imino-3-methyl-4,5-dihydropyrimidin-4-yl]-5-methoxy-2-(2-methylbut-3-en-2-yl)phenol
SMILES[H]/N=C1\N=C(c2ccc(O)cc2)CC(c2cc(C(C)(C)C=C)c(O)cc2OC)N1C
InChIInChI=1S/C23H27N3O3/c1-6-23(2,3)17-11-16(21(29-5)13-20(17)28)19-12-18(25-22(24)26(19)4)14-7-9-15(27)10-8-14/h6-11,13,19,24,27-28H,1,12H2,2-5H3/b24-22+
InChIKeyOWKVJBAXFXHINF-ZNTNEXAZSA-N
XLogP4.37
TPSA89.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[6-(4-hydroxyphenyl)-2-imino-3-(4-methoxyphenyl)-4,5-dihydropyrimidin-4-yl]-5-methoxy-2-(2-methylbut-3-en-2-yl)phenol
CID 141479256
4-[3-(2-fluorophenyl)-6-(4-hydroxyphenyl)-2-imino-4,5-dihydropyrimidin-4-yl]-5-methoxy-2-(2-methylbut-3-en-2-yl)phenol
CID 141479263
4-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-6-(4-hydroxyphenyl)-3-(2-methylphenyl)-4,5-dihydropyrimidin-2-one
CID 141477682
4-[5-(4-hydroxyphenyl)-2-(3-nitrophenyl)pyrazolidin-3-yl]-5-methoxy-2-(2-methylbut-3-en-2-yl)phenol
CID 141477691
5,7-dihydroxy-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-2,3-dihydrochromen-4-one
CID 162994604
4-(3-methanimidoyl-4-methoxyphenyl)phenol
CID 144875511
7-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75640097
(10R)-10-(2,4-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99985971
4-[9-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol
CID 135405250
(10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99995119
3-tert-butyl-1-[2-[(3S)-3-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-methoxyethyl)urea
CID 93131752
5-[(3R)-2-acetyl-3-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-hydroxy-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
CID 136830612

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-hydroxyphenyl)-2-imino-3-methyl-4,5-dihydropyrimidin-4-yl]-5-methoxy-2-(2-methylbut-3-en-2-yl)phenol?
The IUPAC name of 4-[6-(4-hydroxyphenyl)-2-imino-3-methyl-4,5-dihydropyrimidin-4-yl]-5-methoxy-2-(2-methylbut-3-en-2-yl)phenol (CID 141479261) is 4-[6-(4-hydroxyphenyl)-2-imino-3-methyl-4,5-dihydropyrimidin-4-yl]-5-methoxy-2-(2-methylbut-3-en-2-yl)phenol.
What is the SMILES notation for 4-[6-(4-hydroxyphenyl)-2-imino-3-methyl-4,5-dihydropyrimidin-4-yl]-5-methoxy-2-(2-methylbut-3-en-2-yl)phenol?
The canonical SMILES for 4-[6-(4-hydroxyphenyl)-2-imino-3-methyl-4,5-dihydropyrimidin-4-yl]-5-methoxy-2-(2-methylbut-3-en-2-yl)phenol is [H]/N=C1\N=C(c2ccc(O)cc2)CC(c2cc(C(C)(C)C=C)c(O)cc2OC)N1C.
What is the InChIKey of 4-[6-(4-hydroxyphenyl)-2-imino-3-methyl-4,5-dihydropyrimidin-4-yl]-5-methoxy-2-(2-methylbut-3-en-2-yl)phenol?
The InChIKey is OWKVJBAXFXHINF-ZNTNEXAZSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-6-23(2,3)17-11-16(21(29-5)13-20(17)28)19-12-18(25-22(24)26(19)4)14-7-9-15(27)10-8-14/h6-11,13,19,24,27-28H,1,12H2,2-5H3/b24-22+.
What are the key properties of 4-[6-(4-hydroxyphenyl)-2-imino-3-methyl-4,5-dihydropyrimidin-4-yl]-5-methoxy-2-(2-methylbut-3-en-2-yl)phenol?
4-[6-(4-hydroxyphenyl)-2-imino-3-methyl-4,5-dihydropyrimidin-4-yl]-5-methoxy-2-(2-methylbut-3-en-2-yl)phenol has a molecular weight of 393.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-hydroxyphenyl)-2-imino-3-methyl-4,5-dihydropyrimidin-4-yl]-5-methoxy-2-(2-methylbut-3-en-2-yl)phenol is sourced from PubChem (CID 141479261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).