6-ethyl-5-[3-(trimethylsilylmethyl)phenoxy]pyrimidine-2,4-diamine

C16H24N4OSi — CID 134120551

IUPAC6-ethyl-5-[3-(trimethylsilylmethyl)phenoxy]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1Oc1cccc(C[Si](C)(C)C)c1
InChIInChI=1S/C16H24N4OSi/c1-5-13-14(15(17)20-16(18)19-13)21-12-8-6-7-11(9-12)10-22(2,3)4/h6-9H,5,10H2,1-4H3,(H4,17,18,19,20)
InChIKeyACBUAERLWABTNX-UHFFFAOYSA-N
MW316.48 g/mol
LogP3.42
Rot. Bonds5

About 6-ethyl-5-[3-(trimethylsilylmethyl)phenoxy]pyrimidine-2,4-diamine

6-ethyl-5-[3-(trimethylsilylmethyl)phenoxy]pyrimidine-2,4-diamine (PubChem CID 134120551) has the molecular formula C16H24N4OSi and a molecular weight of 316.48 g/mol. Its IUPAC name is 6-ethyl-5-[3-(trimethylsilylmethyl)phenoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-[3-(trimethylsilylmethyl)phenoxy]pyrimidine-2,4-diamine
PubChem CID134120551
Molecular FormulaC16H24N4OSi
Molecular Weight316.48 g/mol
Exact Mass316.17
IUPAC Name6-ethyl-5-[3-(trimethylsilylmethyl)phenoxy]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1Oc1cccc(C[Si](C)(C)C)c1
InChIInChI=1S/C16H24N4OSi/c1-5-13-14(15(17)20-16(18)19-13)21-12-8-6-7-11(9-12)10-22(2,3)4/h6-9H,5,10H2,1-4H3,(H4,17,18,19,20)
InChIKeyACBUAERLWABTNX-UHFFFAOYSA-N
XLogP3.42
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-ethyl-5-(3-pentan-3-ylphenoxy)pyrimidin-2-amine
CID 1214837
(2S)-2-[[3-[3-(2,4-diamino-6-ethylpyrimidin-5-yl)oxypropoxy]phenyl]methyl]-3,3-difluoropropanoic acid
CID 155928413
4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80859995
6-ethyl-4-(3-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331559
6-ethyl-5-[3-(4-phenylphenoxy)propoxy]pyrimidine-2,4-diamine
CID 177378760
benzyl 2-[3-[4-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxymethyl]-1,3-oxazol-2-yl]phenoxy]acetate
CID 126722712
(6-ethylnaphthalen-2-yl)methyl-trimethylsilane
CID 134960161
4-ethylquinazolin-2-amine
CID 10352174
6-[(3-phenoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 71468116
6-(3-ethylphenoxy)-7H-purin-2-amine
CID 114786919
6-ethyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine-2,4-diamine
CID 166611741
2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine
CID 80941964

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-[3-(trimethylsilylmethyl)phenoxy]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-[3-(trimethylsilylmethyl)phenoxy]pyrimidine-2,4-diamine (CID 134120551) is 6-ethyl-5-[3-(trimethylsilylmethyl)phenoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-[3-(trimethylsilylmethyl)phenoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-[3-(trimethylsilylmethyl)phenoxy]pyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1Oc1cccc(C[Si](C)(C)C)c1.
What is the InChIKey of 6-ethyl-5-[3-(trimethylsilylmethyl)phenoxy]pyrimidine-2,4-diamine?
The InChIKey is ACBUAERLWABTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OSi/c1-5-13-14(15(17)20-16(18)19-13)21-12-8-6-7-11(9-12)10-22(2,3)4/h6-9H,5,10H2,1-4H3,(H4,17,18,19,20).
What are the key properties of 6-ethyl-5-[3-(trimethylsilylmethyl)phenoxy]pyrimidine-2,4-diamine?
6-ethyl-5-[3-(trimethylsilylmethyl)phenoxy]pyrimidine-2,4-diamine has a molecular weight of 316.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-[3-(trimethylsilylmethyl)phenoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 134120551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).