4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine

C12H15N5 — CID 142666881

IUPAC4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine
SMILESCN(C)c1cc(N)nc(Nc2ccccc2)n1
InChIInChI=1S/C12H15N5/c1-17(2)11-8-10(13)15-12(16-11)14-9-6-4-3-5-7-9/h3-8H,1-2H3,(H3,13,14,15,16)
InChIKeyJOKYOWYPGRDUHW-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.87
Rot. Bonds3

About 4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine

4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine (PubChem CID 142666881) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine
PubChem CID142666881
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine
SMILESCN(C)c1cc(N)nc(Nc2ccccc2)n1
InChIInChI=1S/C12H15N5/c1-17(2)11-8-10(13)15-12(16-11)14-9-6-4-3-5-7-9/h3-8H,1-2H3,(H3,13,14,15,16)
InChIKeyJOKYOWYPGRDUHW-UHFFFAOYSA-N
XLogP1.87
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-N-dimethyl-6-N-(4-phenoxyphenyl)-2-N-phenylpyrimidine-2,4,6-triamine
CID 90770232
4-N,4-N-dimethyl-6-N-(2-methylphenyl)-2-N-phenylpyrimidine-2,4,6-triamine
CID 91194048
6-N-ethyl-2-N,2-N-dimethyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 80768818
4-N,4-N-dimethylpyrimidine-2,4,6-triamine
CID 23423800
4-N,4-N-dimethyl-2-N-phenyl-6-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine
CID 68562505
2-anilino-4,6-dimethylpyrimidin-5-ol
CID 45097442
6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 142394027
2-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]isoindole-1,3-dione
CID 168519001
6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796334
N-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine
CID 104609384
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide
CID 122287304
2-N,2-N-diethyl-4-N-phenylpyrimidine-2,4,6-triamine
CID 86235846

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine (CID 142666881) is 4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine is CN(C)c1cc(N)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine?
The InChIKey is JOKYOWYPGRDUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-17(2)11-8-10(13)15-12(16-11)14-9-6-4-3-5-7-9/h3-8H,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine?
4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine has a molecular weight of 229.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 142666881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).