4-N-butan-2-yl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine

C20H23N5O — CID 19154145

IUPAC4-N-butan-2-yl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCCC(C)Nc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1N
InChIInChI=1S/C20H23N5O/c1-3-14(2)24-19-18(21)20(23-13-22-19)25-15-9-11-17(12-10-15)26-16-7-5-4-6-8-16/h4-14H,3,21H2,1-2H3,(H2,22,23,24,25)
InChIKeyZJNFPIFCUXIKLI-UHFFFAOYSA-N
MW349.44 g/mol
LogP4.81
Rot. Bonds7

About 4-N-butan-2-yl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine

4-N-butan-2-yl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19154145) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-N-butan-2-yl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-butan-2-yl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
PubChem CID19154145
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-N-butan-2-yl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
SMILESCCC(C)Nc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1N
InChIInChI=1S/C20H23N5O/c1-3-14(2)24-19-18(21)20(23-13-22-19)25-15-9-11-17(12-10-15)26-16-7-5-4-6-8-16/h4-14H,3,21H2,1-2H3,(H2,22,23,24,25)
InChIKeyZJNFPIFCUXIKLI-UHFFFAOYSA-N
XLogP4.81
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-phenoxyphenyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 19134746
4-N,4-N-diethyl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19136861
6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
CID 19152592
4-N-(4-ethoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
CID 19149235
4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147676
4-N-(3,4-dimethylphenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 22546325
4-N-(4-butoxyphenyl)-6-phenoxypyrimidine-4,5-diamine
CID 19143062
4-N-(3,4-dichlorophenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 22546939
6-(2-ethylpiperidin-1-yl)-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
CID 19140566
4-N-(3,4-difluorophenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19153925
4-N-butan-2-yl-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142796
4-N-(4-methyl-2-pyridinyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 22545280

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-butan-2-yl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine (CID 19154145) is 4-N-butan-2-yl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-butan-2-yl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-butan-2-yl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine is CCC(C)Nc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1N.
What is the InChIKey of 4-N-butan-2-yl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is ZJNFPIFCUXIKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-14(2)24-19-18(21)20(23-13-22-19)25-15-9-11-17(12-10-15)26-16-7-5-4-6-8-16/h4-14H,3,21H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 4-N-butan-2-yl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine?
4-N-butan-2-yl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 349.44 g/mol, XLogP of 4.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19154145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).