6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine

C20H23N5 — CID 19143141

IUPAC6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(NC(C)c3ccccc3)c2N)c1C
InChIInChI=1S/C20H23N5/c1-13-8-7-11-17(14(13)2)25-20-18(21)19(22-12-23-20)24-15(3)16-9-5-4-6-10-16/h4-12,15H,21H2,1-3H3,(H2,22,23,24,25)
InChIKeyLFXBTIWQMMHJPF-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.59
Rot. Bonds5

About 6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine

6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine (PubChem CID 19143141) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
PubChem CID19143141
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(NC(C)c3ccccc3)c2N)c1C
InChIInChI=1S/C20H23N5/c1-13-8-7-11-17(14(13)2)25-20-18(21)19(22-12-23-20)24-15(3)16-9-5-4-6-10-16/h4-12,15H,21H2,1-3H3,(H2,22,23,24,25)
InChIKeyLFXBTIWQMMHJPF-UHFFFAOYSA-N
XLogP4.59
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(2,3-dimethylphenyl)-5-nitro-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 23495249
6-N-(5-chloro-2-methylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 22547233
4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19137100
6-(4-benzhydrylpiperazin-1-yl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5-diamine
CID 19139592
6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143159
6-hydrazinyl-4-N-(1-phenylethyl)pyrimidine-4,5-diamine
CID 19145712
6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19136168
6-N-(2,5-difluorophenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145768
4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135206
4-N-(2,3-dimethylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80762317
6-N-ethyl-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19135224
6-N-(5-chloro-2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145756

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine (CID 19143141) is 6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine is Cc1cccc(Nc2ncnc(NC(C)c3ccccc3)c2N)c1C.
What is the InChIKey of 6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine?
The InChIKey is LFXBTIWQMMHJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-13-8-7-11-17(14(13)2)25-20-18(21)19(22-12-23-20)24-15(3)16-9-5-4-6-10-16/h4-12,15H,21H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine?
6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine has a molecular weight of 333.44 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19143141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).