N,N-dimethylaniline;N-methylaniline;N,N,4,6-tetramethylpyrimidin-2-amine

C23H33N5 — CID 157167621

IUPACN,N-dimethylaniline;N-methylaniline;N,N,4,6-tetramethylpyrimidin-2-amine
SMILESCN(C)c1ccccc1.CNc1ccccc1.Cc1cc(C)nc(N(C)C)n1
InChIInChI=1S/C8H13N3.C8H11N.C7H9N/c1-6-5-7(2)10-8(9-6)11(3)4;1-9(2)8-6-4-3-5-7-8;1-8-7-5-3-2-4-6-7/h5H,1-4H3;3-7H,1-2H3;2-6,8H,1H3
InChIKeyANCDDHMLZCVFBJ-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.64
Rot. Bonds3

About N,N-dimethylaniline;N-methylaniline;N,N,4,6-tetramethylpyrimidin-2-amine

N,N-dimethylaniline;N-methylaniline;N,N,4,6-tetramethylpyrimidin-2-amine (PubChem CID 157167621) has the molecular formula C23H33N5 and a molecular weight of 379.55 g/mol. Its IUPAC name is N,N-dimethylaniline;N-methylaniline;N,N,4,6-tetramethylpyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethylaniline;N-methylaniline;N,N,4,6-tetramethylpyrimidin-2-amine
PubChem CID157167621
Molecular FormulaC23H33N5
Molecular Weight379.55 g/mol
Exact Mass379.27
IUPAC NameN,N-dimethylaniline;N-methylaniline;N,N,4,6-tetramethylpyrimidin-2-amine
SMILESCN(C)c1ccccc1.CNc1ccccc1.Cc1cc(C)nc(N(C)C)n1
InChIInChI=1S/C8H13N3.C8H11N.C7H9N/c1-6-5-7(2)10-8(9-6)11(3)4;1-9(2)8-6-4-3-5-7-8;1-8-7-5-3-2-4-6-7/h5H,1-4H3;3-7H,1-2H3;2-6,8H,1H3
InChIKeyANCDDHMLZCVFBJ-UHFFFAOYSA-N
XLogP4.64
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(4,6-dimethylpyrimidin-2-yl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117044722
CID 69241188
CID 69241188
N,N-dimethylaniline
CID 70392672
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethylaniline;nickel
CID 158294400
CID 157283458
CID 157283458
N,N-dimethylaniline;osmium(4+)
CID 172845967
2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 19754221
magnesium;N-methylaniline;bromide
CID 173157225
N,N-dimethylaniline;methanol
CID 143205399

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylaniline;N-methylaniline;N,N,4,6-tetramethylpyrimidin-2-amine?
The IUPAC name of N,N-dimethylaniline;N-methylaniline;N,N,4,6-tetramethylpyrimidin-2-amine (CID 157167621) is N,N-dimethylaniline;N-methylaniline;N,N,4,6-tetramethylpyrimidin-2-amine.
What is the SMILES notation for N,N-dimethylaniline;N-methylaniline;N,N,4,6-tetramethylpyrimidin-2-amine?
The canonical SMILES for N,N-dimethylaniline;N-methylaniline;N,N,4,6-tetramethylpyrimidin-2-amine is CN(C)c1ccccc1.CNc1ccccc1.Cc1cc(C)nc(N(C)C)n1.
What is the InChIKey of N,N-dimethylaniline;N-methylaniline;N,N,4,6-tetramethylpyrimidin-2-amine?
The InChIKey is ANCDDHMLZCVFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.C8H11N.C7H9N/c1-6-5-7(2)10-8(9-6)11(3)4;1-9(2)8-6-4-3-5-7-8;1-8-7-5-3-2-4-6-7/h5H,1-4H3;3-7H,1-2H3;2-6,8H,1H3.
What are the key properties of N,N-dimethylaniline;N-methylaniline;N,N,4,6-tetramethylpyrimidin-2-amine?
N,N-dimethylaniline;N-methylaniline;N,N,4,6-tetramethylpyrimidin-2-amine has a molecular weight of 379.55 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylaniline;N-methylaniline;N,N,4,6-tetramethylpyrimidin-2-amine is sourced from PubChem (CID 157167621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).