2-[6-[1-(3,5-dimethylphenyl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

C21H24N4O — CID 137275234

IUPAC2-[6-[1-(3,5-dimethylphenyl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1cc(C)cc(C(C)Nc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)c1
InChIInChI=1S/C21H24N4O/c1-12-8-13(2)10-18(9-12)16(5)23-19-7-6-17(11-22-19)20-24-15(4)14(3)21(26)25-20/h6-11,16H,1-5H3,(H,22,23)(H,24,25,26)
InChIKeyUKUGSTJOYGASNA-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.24
Rot. Bonds4

About 2-[6-[1-(3,5-dimethylphenyl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[6-[1-(3,5-dimethylphenyl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 137275234) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[6-[1-(3,5-dimethylphenyl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[1-(3,5-dimethylphenyl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID137275234
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[6-[1-(3,5-dimethylphenyl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1cc(C)cc(C(C)Nc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)c1
InChIInChI=1S/C21H24N4O/c1-12-8-13(2)10-18(9-12)16(5)23-19-7-6-17(11-22-19)20-24-15(4)14(3)21(26)25-20/h6-11,16H,1-5H3,(H,22,23)(H,24,25,26)
InChIKeyUKUGSTJOYGASNA-UHFFFAOYSA-N
XLogP4.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-(3,5-dimethylphenyl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[1-(3,5-dimethylphenyl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 137275234) is 2-[6-[1-(3,5-dimethylphenyl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[1-(3,5-dimethylphenyl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[1-(3,5-dimethylphenyl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is Cc1cc(C)cc(C(C)Nc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)c1.
What is the InChIKey of 2-[6-[1-(3,5-dimethylphenyl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is UKUGSTJOYGASNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-12-8-13(2)10-18(9-12)16(5)23-19-7-6-17(11-22-19)20-24-15(4)14(3)21(26)25-20/h6-11,16H,1-5H3,(H,22,23)(H,24,25,26).
What are the key properties of 2-[6-[1-(3,5-dimethylphenyl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[6-[1-(3,5-dimethylphenyl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 348.45 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-(3,5-dimethylphenyl)ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137275234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).