N-[4-[1-[3,4-bis(ethenyl)phenyl]ethoxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C24H29N3O — CID 145045032

IUPACN-[4-[1-[3,4-bis(ethenyl)phenyl]ethoxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC=Cc1ccc(C(C)Oc2cc(C)c(NC3=NCCCN3)cc2C)cc1C=C
InChIInChI=1S/C24H29N3O/c1-6-19-9-10-21(15-20(19)7-2)18(5)28-23-14-16(3)22(13-17(23)4)27-24-25-11-8-12-26-24/h6-7,9-10,13-15,18H,1-2,8,11-12H2,3-5H3,(H2,25,26,27)
InChIKeyXBXLYXJCNNHZHH-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.49
Rot. Bonds6

About N-[4-[1-[3,4-bis(ethenyl)phenyl]ethoxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[4-[1-[3,4-bis(ethenyl)phenyl]ethoxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 145045032) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[4-[1-[3,4-bis(ethenyl)phenyl]ethoxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[1-[3,4-bis(ethenyl)phenyl]ethoxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID145045032
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-[4-[1-[3,4-bis(ethenyl)phenyl]ethoxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC=Cc1ccc(C(C)Oc2cc(C)c(NC3=NCCCN3)cc2C)cc1C=C
InChIInChI=1S/C24H29N3O/c1-6-19-9-10-21(15-20(19)7-2)18(5)28-23-14-16(3)22(13-17(23)4)27-24-25-11-8-12-26-24/h6-7,9-10,13-15,18H,1-2,8,11-12H2,3-5H3,(H2,25,26,27)
InChIKeyXBXLYXJCNNHZHH-UHFFFAOYSA-N
XLogP5.49
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[3,4-bis(ethenyl)phenyl]ethoxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[4-[1-[3,4-bis(ethenyl)phenyl]ethoxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 145045032) is N-[4-[1-[3,4-bis(ethenyl)phenyl]ethoxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[4-[1-[3,4-bis(ethenyl)phenyl]ethoxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[4-[1-[3,4-bis(ethenyl)phenyl]ethoxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine is C=Cc1ccc(C(C)Oc2cc(C)c(NC3=NCCCN3)cc2C)cc1C=C.
What is the InChIKey of N-[4-[1-[3,4-bis(ethenyl)phenyl]ethoxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is XBXLYXJCNNHZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-6-19-9-10-21(15-20(19)7-2)18(5)28-23-14-16(3)22(13-17(23)4)27-24-25-11-8-12-26-24/h6-7,9-10,13-15,18H,1-2,8,11-12H2,3-5H3,(H2,25,26,27).
What are the key properties of N-[4-[1-[3,4-bis(ethenyl)phenyl]ethoxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[4-[1-[3,4-bis(ethenyl)phenyl]ethoxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 375.52 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[3,4-bis(ethenyl)phenyl]ethoxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 145045032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).