N-(4,6-dimethylpyrimidin-2-yl)-1,3-bis[(4-methoxyphenyl)methyl]-2,4-dihydro-1,3,5-triazin-6-amine

C25H30N6O2 — CID 2037119

IUPACN-(4,6-dimethylpyrimidin-2-yl)-1,3-bis[(4-methoxyphenyl)methyl]-2,4-dihydro-1,3,5-triazin-6-amine
SMILESCOc1ccc(CN2CN=C(Nc3nc(C)cc(C)n3)N(Cc3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C25H30N6O2/c1-18-13-19(2)28-24(27-18)29-25-26-16-30(14-20-5-9-22(32-3)10-6-20)17-31(25)15-21-7-11-23(33-4)12-8-21/h5-13H,14-17H2,1-4H3,(H,26,27,28,29)
InChIKeyHHFTZXSKANTTSL-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.81
Rot. Bonds7

About N-(4,6-dimethylpyrimidin-2-yl)-1,3-bis[(4-methoxyphenyl)methyl]-2,4-dihydro-1,3,5-triazin-6-amine

N-(4,6-dimethylpyrimidin-2-yl)-1,3-bis[(4-methoxyphenyl)methyl]-2,4-dihydro-1,3,5-triazin-6-amine (PubChem CID 2037119) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-1,3-bis[(4-methoxyphenyl)methyl]-2,4-dihydro-1,3,5-triazin-6-amine.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-1,3-bis[(4-methoxyphenyl)methyl]-2,4-dihydro-1,3,5-triazin-6-amine
PubChem CID2037119
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-1,3-bis[(4-methoxyphenyl)methyl]-2,4-dihydro-1,3,5-triazin-6-amine
SMILESCOc1ccc(CN2CN=C(Nc3nc(C)cc(C)n3)N(Cc3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C25H30N6O2/c1-18-13-19(2)28-24(27-18)29-25-26-16-30(14-20-5-9-22(32-3)10-6-20)17-31(25)15-21-7-11-23(33-4)12-8-21/h5-13H,14-17H2,1-4H3,(H,26,27,28,29)
InChIKeyHHFTZXSKANTTSL-UHFFFAOYSA-N
XLogP3.81
TPSA75.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-1,3-bis[(4-methoxyphenyl)methyl]-2,4-dihydro-1,3,5-triazin-6-amine?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-1,3-bis[(4-methoxyphenyl)methyl]-2,4-dihydro-1,3,5-triazin-6-amine (CID 2037119) is N-(4,6-dimethylpyrimidin-2-yl)-1,3-bis[(4-methoxyphenyl)methyl]-2,4-dihydro-1,3,5-triazin-6-amine.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-1,3-bis[(4-methoxyphenyl)methyl]-2,4-dihydro-1,3,5-triazin-6-amine?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-1,3-bis[(4-methoxyphenyl)methyl]-2,4-dihydro-1,3,5-triazin-6-amine is COc1ccc(CN2CN=C(Nc3nc(C)cc(C)n3)N(Cc3ccc(OC)cc3)C2)cc1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-1,3-bis[(4-methoxyphenyl)methyl]-2,4-dihydro-1,3,5-triazin-6-amine?
The InChIKey is HHFTZXSKANTTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-18-13-19(2)28-24(27-18)29-25-26-16-30(14-20-5-9-22(32-3)10-6-20)17-31(25)15-21-7-11-23(33-4)12-8-21/h5-13H,14-17H2,1-4H3,(H,26,27,28,29).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-1,3-bis[(4-methoxyphenyl)methyl]-2,4-dihydro-1,3,5-triazin-6-amine?
N-(4,6-dimethylpyrimidin-2-yl)-1,3-bis[(4-methoxyphenyl)methyl]-2,4-dihydro-1,3,5-triazin-6-amine has a molecular weight of 446.56 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-1,3-bis[(4-methoxyphenyl)methyl]-2,4-dihydro-1,3,5-triazin-6-amine is sourced from PubChem (CID 2037119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).