1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-2-N-methyl-4-propan-2-ylbenzene-1,2-diamine

C18H26N4 — CID 151828250

IUPAC1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-2-N-methyl-4-propan-2-ylbenzene-1,2-diamine
SMILESCCN(c1nc(C)cc(C)n1)c1ccc(C(C)C)cc1NC
InChIInChI=1S/C18H26N4/c1-7-22(18-20-13(4)10-14(5)21-18)17-9-8-15(12(2)3)11-16(17)19-6/h8-12,19H,7H2,1-6H3
InChIKeySECFIPZQHVWQDY-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.42
Rot. Bonds5

About 1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-2-N-methyl-4-propan-2-ylbenzene-1,2-diamine

1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-2-N-methyl-4-propan-2-ylbenzene-1,2-diamine (PubChem CID 151828250) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-2-N-methyl-4-propan-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-2-N-methyl-4-propan-2-ylbenzene-1,2-diamine
PubChem CID151828250
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-2-N-methyl-4-propan-2-ylbenzene-1,2-diamine
SMILESCCN(c1nc(C)cc(C)n1)c1ccc(C(C)C)cc1NC
InChIInChI=1S/C18H26N4/c1-7-22(18-20-13(4)10-14(5)21-18)17-9-8-15(12(2)3)11-16(17)19-6/h8-12,19H,7H2,1-6H3
InChIKeySECFIPZQHVWQDY-UHFFFAOYSA-N
XLogP4.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-2-N-methyl-4-propan-2-ylbenzene-1,2-diamine?
The IUPAC name of 1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-2-N-methyl-4-propan-2-ylbenzene-1,2-diamine (CID 151828250) is 1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-2-N-methyl-4-propan-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-2-N-methyl-4-propan-2-ylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-2-N-methyl-4-propan-2-ylbenzene-1,2-diamine is CCN(c1nc(C)cc(C)n1)c1ccc(C(C)C)cc1NC.
What is the InChIKey of 1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-2-N-methyl-4-propan-2-ylbenzene-1,2-diamine?
The InChIKey is SECFIPZQHVWQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-7-22(18-20-13(4)10-14(5)21-18)17-9-8-15(12(2)3)11-16(17)19-6/h8-12,19H,7H2,1-6H3.
What are the key properties of 1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-2-N-methyl-4-propan-2-ylbenzene-1,2-diamine?
1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-2-N-methyl-4-propan-2-ylbenzene-1,2-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-2-N-methyl-4-propan-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 151828250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).